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Phenylbutylamines

Organic compounds that contain a phenyl ring with a butyl group bonded to an amino functional group.

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1

Thermo Scientific Chemicals (±)-Verapamil hydrochloride, 99+%

CAS: 152-11-4 Molecular Formula: C27H38N2O4·HCl Molecular Weight (g/mol): 491.07 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.07
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H38N2O4·HCl
3

3-Hydroxy Citalopram, TRC

CAS: 411221-53-9 Molecular Formula: C20 H21 F N2 O2 Molecular Weight (g/mol): 340.39 Synonym: 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-hydroxy-,1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-hydroxy-5-isobenzofurancarbonitrile,1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-1,3-dihydroiso-benzofuran-5-carbonitrile,3-Hydroxy Citalopram,3-Hydroxycitalopram IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-3H-2-benzofuran-5-carbonitrile SMILES: CN(C)CCCC1(OC(O)c2cc(ccc12)C#N)c3ccc(F)cc3

CAS 411221-53-9
Molecular Weight (g/mol) 340.39
SMILES CN(C)CCCC1(OC(O)c2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-hydroxy-,1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-3-hydroxy-5-isobenzofurancarbonitrile,1-[3-(Dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-1,3-dihydroiso-benzofuran-5-carbonitrile,3-Hydroxy Citalopram,3-Hydroxycitalopram
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3-hydroxy-3H-2-benzofuran-5-carbonitrile
Molecular Formula C20 H21 F N2 O2
5

rac Didemethyl Citalopram-d6 Hydrochloride, TRC

CAS: 1189865-88-0 Molecular Formula: C18H12D6ClFN2O Molecular Weight (g/mol): 338.84 SMILES: Cl.[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])C1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 1189865-88-0
Molecular Weight (g/mol) 338.84
SMILES Cl.[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])C1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Molecular Formula C18H12D6ClFN2O
6

Chlorocitalopram, Hydrobromide, TRC

CAS: 64169-58-0 Molecular Formula: C20 H21 Cl N2 O . Br H Molecular Weight (g/mol): 421.76 IUPAC Name: 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(Cl)cc3

CAS 64169-58-0
Molecular Weight (g/mol) 421.76
SMILES Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(Cl)cc3
IUPAC Name 1-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
Molecular Formula C20 H21 Cl N2 O . Br H
8

Anipamil, TRC

CAS: 83200-10-6 Molecular Formula: C34H52N2O2 Molecular Weight (g/mol): 520.8 Synonym: alpha-Dodecyl-3-methoxy-alpha-[3-[[2-(3-methoxyphenyl)ethyl]methylamino]propyl]benzeneacetonitrile ; IUPAC Name: 2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile SMILES: CCCCCCCCCCCCC(CCCN(C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2

CAS 83200-10-6
Molecular Weight (g/mol) 520.8
SMILES CCCCCCCCCCCCC(CCCN(C)CCc1cccc(OC)c1)(C#N)c2cccc(OC)c2
Synonym alpha-Dodecyl-3-methoxy-alpha-[3-[[2-(3-methoxyphenyl)ethyl]methylamino]propyl]benzeneacetonitrile ;
IUPAC Name 2-(3-methoxyphenyl)-2-[3-[2-(3-methoxyphenyl)ethyl-methylamino]propyl]tetradecanenitrile
Molecular Formula C34H52N2O2
9

rac Desmethyl Citalopram Hydrobromide, TRC

CAS: 1188264-72-3 Molecular Formula: C19 H19 F N2 O . Br H Molecular Weight (g/mol): 391.28 Synonym: 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrobromide (1:1),(1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrobromide,Desmethylcitalopram Hydrobromide,rac Desmethyl Citalopram Hydrobromide IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 1188264-72-3
Molecular Weight (g/mol) 391.28
SMILES Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrobromide (1:1),(1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrobromide,Desmethylcitalopram Hydrobromide,rac Desmethyl Citalopram Hydrobromide
IUPAC Name 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
Molecular Formula C19 H19 F N2 O . Br H
10

rac Desmethyl Citalopram Hydrochloride, TRC

CAS: 97743-99-2 Molecular Formula: C19 H19 F N2 O . Cl H Molecular Weight (g/mol): 346.83 Synonym: (1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride,Citalopram Hydrobromide Imp. D (EP) as Hydrochloride,Desmethylcitalopram Hydrochloride,1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-5-isobenzofurancarbonitrile monohydrochloride,Lu 11-109C IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrochloride SMILES: Cl.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 97743-99-2
Molecular Weight (g/mol) 346.83
SMILES Cl.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym (1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride,Citalopram Hydrobromide Imp. D (EP) as Hydrochloride,Desmethylcitalopram Hydrochloride,1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-5-isobenzofurancarbonitrile monohydrochloride,Lu 11-109C
IUPAC Name 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrochloride
Molecular Formula C19 H19 F N2 O . Cl H
11

rac Desfluoro Citalopram Oxalate, TRC

CAS: 1093072-86-6 Molecular Formula: C20 H22 N2 O . C2 H2 O4 Molecular Weight (g/mol): 396.44 Synonym: 1-(3-Dimethylaminopropyl)-1-(phenyl)-5-phthalan-carbonitrile Oxalate,1-[3-(Dimethylamino)propyl]-1,3-dihydro-1-phenyl-5-isobenzofurancarbonitrile Ethanedioate (1:1) IUPAC Name: 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid SMILES: CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccccc3.OC(=O)C(=O)O

CAS 1093072-86-6
Molecular Weight (g/mol) 396.44
SMILES CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccccc3.OC(=O)C(=O)O
Synonym 1-(3-Dimethylaminopropyl)-1-(phenyl)-5-phthalan-carbonitrile Oxalate,1-[3-(Dimethylamino)propyl]-1,3-dihydro-1-phenyl-5-isobenzofurancarbonitrile Ethanedioate (1:1)
IUPAC Name 1-[3-(dimethylamino)propyl]-1-phenyl-3H-2-benzofuran-5-carbonitrile;oxalic acid
Molecular Formula C20 H22 N2 O . C2 H2 O4
12

(S)-Citalopram, TRC

CAS: 128196-01-0 Molecular Formula: C20 H21 F N2 O Molecular Weight (g/mol): 324.39 Synonym: 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (S)-,(+)-(S)-1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile,(+)-(S)-Citalopram,(+)-Citalopram,(S)-Citalopram,Escitalopram,S-(+)-Citalopram,Seroplex;5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)- IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile SMILES: CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 128196-01-0
Molecular Weight (g/mol) 324.39
SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (S)-,(+)-(S)-1-(3-(Dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile,(+)-(S)-Citalopram,(+)-Citalopram,(S)-Citalopram,Escitalopram,S-(+)-Citalopram,Seroplex;5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-
IUPAC Name (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
Molecular Formula C20 H21 F N2 O
13

Citalopram N-Oxide, TRC

CAS: 63284-72-0 Molecular Formula: C20 H21 F N2 O2 Molecular Weight (g/mol): 340.39 Synonym: 5-Isobenzofurancarbonitrile, 1-[3-(dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, N1-oxide,1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile,Citalopram N-oxide,Lu 11-305 IUPAC Name: 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide SMILES: C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 63284-72-0
Molecular Weight (g/mol) 340.39
SMILES C[N+](C)([O-])CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 5-Isobenzofurancarbonitrile, 1-[3-(dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-,5-Isobenzofurancarbonitrile, 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, N1-oxide,1-[3-(Dimethyloxidoamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile,Citalopram N-oxide,Lu 11-305
IUPAC Name 3-[5-cyano-1-(4-fluorophenyl)-3H-2-benzofuran-1-yl]-N,N-dimethylpropan-1-amine oxide
Molecular Formula C20 H21 F N2 O2
14

3,4-Dimethoxy-Alpha-[3-(methylamino)propyl]-Alpha-(1-methylethyl)-benzeneacetonitrile Hydrochloride, TRC

CAS: 67775-97-7 Molecular Formula: C17 H26 N2 O2 . Cl H Molecular Weight (g/mol): 326.86 Synonym: (2RS)-2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-(1-methylethyl)pentanenitrile Hydrochloride,Verapamil Hydrochloride Imp. F (EP) as Hydrochloride,Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, hydrochloride (1:1) (ACI),Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, monohydrochloride (9CI),3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile monohydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile;hydrochloride SMILES: Cl.CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1

CAS 67775-97-7
Molecular Weight (g/mol) 326.86
SMILES Cl.CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1
Synonym (2RS)-2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-(1-methylethyl)pentanenitrile Hydrochloride,Verapamil Hydrochloride Imp. F (EP) as Hydrochloride,Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, hydrochloride (1:1) (ACI),Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, monohydrochloride (9CI),3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile monohydrochloride
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile;hydrochloride
Molecular Formula C17 H26 N2 O2 . Cl H
15

rac Didemethyl Citalopram Hydrochloride, TRC

CAS: 1189694-81-2 Molecular Formula: C18 H17 F N2 O . H Cl Molecular Weight (g/mol): 332.8 Synonym: 5-Isobenzofurancarbonitrile, 1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-, hydrochloride (1:1),1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile hydrochloride,1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrochloride,Didemethylcitalopram hydrochloride,Didesmethylcitalopram hydrochloride,Dinorcitalopram hydrochloride,Lu 11-161 HCl,N-Desmethylcitalopram hydrochloride,rac-Didesmethylcitalopram hydrochloride,N,N-Didesmethyl citalopram hydrochloride,N,N-Didesmethylcitalopram hydrochloride,rac Didemethyl citalopram hydrochloride IUPAC Name: 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrochloride SMILES: Cl.NCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 1189694-81-2
Molecular Weight (g/mol) 332.8
SMILES Cl.NCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 5-Isobenzofurancarbonitrile, 1-(3-aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-, hydrochloride (1:1),1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile hydrochloride,1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrochloride,Didemethylcitalopram hydrochloride,Didesmethylcitalopram hydrochloride,Dinorcitalopram hydrochloride,Lu 11-161 HCl,N-Desmethylcitalopram hydrochloride,rac-Didesmethylcitalopram hydrochloride,N,N-Didesmethyl citalopram hydrochloride,N,N-Didesmethylcitalopram hydrochloride,rac Didemethyl citalopram hydrochloride
IUPAC Name 1-(3-aminopropyl)-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrochloride
Molecular Formula C18 H17 F N2 O . H Cl