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Aralkylamines

Organic compounds that consist of an alkylamine in which the alkyl group is substituted by an aromatic functional group.

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1

(±)-2-Amino-1-phenylethanol, 95%

CAS: 7568-93-6 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008137 InChI Key: ULSIYEODSMZIPX-UHFFFAOYNA-N Synonym: phenylethanolamine,2-hydroxy-2-phenylethylamine,phenethanolamine,beta-hydroxyphenethylamine,2-phenyl-2-hydroxyethylamine,bisnorephedrine,beta-phenethanolamine,alpha-aminomethyl benzyl alcohol,2-amino-1-phenylethan-1-ol,2-amino-1-phenyl-1-ethanol PubChem CID: 1000 ChEBI: CHEBI:16343 IUPAC Name: 2-amino-1-phenylethanol SMILES: NCC(O)C1=CC=CC=C1

EDGE
PubChem CID 1000
CAS 7568-93-6
Molecular Weight (g/mol) 137.18
ChEBI CHEBI:16343
MDL Number MFCD00008137
SMILES NCC(O)C1=CC=CC=C1
Synonym phenylethanolamine,2-hydroxy-2-phenylethylamine,phenethanolamine,beta-hydroxyphenethylamine,2-phenyl-2-hydroxyethylamine,bisnorephedrine,beta-phenethanolamine,alpha-aminomethyl benzyl alcohol,2-amino-1-phenylethan-1-ol,2-amino-1-phenyl-1-ethanol
IUPAC Name 2-amino-1-phenylethanol
InChI Key ULSIYEODSMZIPX-UHFFFAOYNA-N
Molecular Formula C8H11NO
2

3-Thiophenemethylamine, 96%

CAS: 27757-86-4 Molecular Formula: C5H7NS Molecular Weight (g/mol): 113.178 MDL Number: MFCD01529872 InChI Key: DUDAKCCDHRNMDJ-UHFFFAOYSA-N Synonym: 3-thienylmethylamine,3-aminomethyl thiophene,3-thiophenemethanamine,3-thiophenemethylamine,1-thien-3-ylmethanamine,3-thienylmethyl amine,1-3-thienyl methanamine,thiophen-3-yl-methylamine,thiophen-3-yl methanamine,thien-3-yl methylamine PubChem CID: 2776381 IUPAC Name: thiophen-3-ylmethanamine SMILES: C1=CSC=C1CN

PubChem CID 2776381
CAS 27757-86-4
Molecular Weight (g/mol) 113.178
MDL Number MFCD01529872
SMILES C1=CSC=C1CN
Synonym 3-thienylmethylamine,3-aminomethyl thiophene,3-thiophenemethanamine,3-thiophenemethylamine,1-thien-3-ylmethanamine,3-thienylmethyl amine,1-3-thienyl methanamine,thiophen-3-yl-methylamine,thiophen-3-yl methanamine,thien-3-yl methylamine
IUPAC Name thiophen-3-ylmethanamine
InChI Key DUDAKCCDHRNMDJ-UHFFFAOYSA-N
Molecular Formula C5H7NS
3

6-Hydroxy Bromantane, TRC

CAS: 1007310-57-7 Molecular Formula: C16H20BrNO Molecular Weight (g/mol): 322.24 Synonym: Tricyclo[3.3.1.13,7]decan-2-ol, 6-[(4-bromophenyl)amino]-,6-[(4-Bromophenyl)amino]tricyclo[3.3.1.13,7]decan-2-ol,6-Hydroxybromantan SMILES: OC1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3Nc4ccc(Br)cc4

CAS 1007310-57-7
Molecular Weight (g/mol) 322.24
SMILES OC1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3Nc4ccc(Br)cc4
Synonym Tricyclo[3.3.1.13,7]decan-2-ol, 6-[(4-bromophenyl)amino]-,6-[(4-Bromophenyl)amino]tricyclo[3.3.1.13,7]decan-2-ol,6-Hydroxybromantan
Molecular Formula C16H20BrNO
4

(+/-)-1-(1-Naphthyl)ethylamine, 98%

CAS: 42882-31-5 Molecular Formula: C12H13N Molecular Weight (g/mol): 171.243 MDL Number: MFCD00004014 InChI Key: RTCUCQWIICFPOD-UHFFFAOYSA-N Synonym: +/-1-1-naphthyl ethylamine,1-1-naphthyl ethylamine,1-naphthalen-1-yl ethanamine,dl-1-1-naphthyl ethylamine,1-1-naphthyl ethanamine,1-naphthalen-1-yl ethan-1-amine,+/--1-1-naphthyl ethylamine,1-1-napthyl ethylamine,1-naphthalen-1-yl-ethylamine,r-+-1-1-naphthyl ethylamine PubChem CID: 98089 IUPAC Name: 1-naphthalen-1-ylethanamine SMILES: CC(C1=CC=CC2=CC=CC=C21)N

PubChem CID 98089
CAS 42882-31-5
Molecular Weight (g/mol) 171.243
MDL Number MFCD00004014
SMILES CC(C1=CC=CC2=CC=CC=C21)N
Synonym +/-1-1-naphthyl ethylamine,1-1-naphthyl ethylamine,1-naphthalen-1-yl ethanamine,dl-1-1-naphthyl ethylamine,1-1-naphthyl ethanamine,1-naphthalen-1-yl ethan-1-amine,+/--1-1-naphthyl ethylamine,1-1-napthyl ethylamine,1-naphthalen-1-yl-ethylamine,r-+-1-1-naphthyl ethylamine
IUPAC Name 1-naphthalen-1-ylethanamine
InChI Key RTCUCQWIICFPOD-UHFFFAOYSA-N
Molecular Formula C12H13N
5

N-Methyl-N,N-bis(2-pyridylethyl)amine, TRC

CAS: 5452-87-9 Molecular Formula: C15 H19 N3 Molecular Weight (g/mol): 241.33 Synonym: 2-Pyridineethanamine, N-methyl-N-[2-(2-pyridinyl)ethyl]-,N-Methyl-N-[2-(2-pyridinyl)ethyl]-2-pyridineethanamine,Methylbis(2-pyridylethyl)amine,N-Methylbis[2-(2-pyridylethyl)]amine,N-Methyl-N,N-bis[2-(2-pyridylethyl)]amine,NSC 19005,N-Methyl-2-(pyridin-2-yl)-N-[2-(pyridin-2-yl)ethyl]ethanamine IUPAC Name: N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine SMILES: CN(CCc1ccccn1)CCc2ccccn2

CAS 5452-87-9
Molecular Weight (g/mol) 241.33
SMILES CN(CCc1ccccn1)CCc2ccccn2
Synonym 2-Pyridineethanamine, N-methyl-N-[2-(2-pyridinyl)ethyl]-,N-Methyl-N-[2-(2-pyridinyl)ethyl]-2-pyridineethanamine,Methylbis(2-pyridylethyl)amine,N-Methylbis[2-(2-pyridylethyl)]amine,N-Methyl-N,N-bis[2-(2-pyridylethyl)]amine,NSC 19005,N-Methyl-2-(pyridin-2-yl)-N-[2-(pyridin-2-yl)ethyl]ethanamine
IUPAC Name N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
Molecular Formula C15 H19 N3
6

N-Methyl-N,N-bis(2-pyridylethyl)amine Trihydrochloride, TRC

CAS: 2095467-43-7 Molecular Formula: C15 H19 N3 . 3 Cl H Molecular Weight (g/mol): 350.71 Synonym: 2-Pyridineethanamine, N-methyl-N-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:3),N-Methyl-N-[2-(2-pyridinyl)ethyl]-2-pyridineethanamine trihydrochloride,Methylbis(2-pyridylethyl)amine trihydrochloride,N-Methylbis[2-(2-pyridylethyl)]amine trihydrochloride,N-Methyl-N,N-bis[2-(2-pyridylethyl)]amine trihydrochloride,N-Methyl-2-(pyridin-2-yl)-N-[2-(pyridin-2-yl)ethyl]ethanamine trihydrochloride IUPAC Name: N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;trihydrochloride SMILES: Cl.Cl.Cl.CN(CCc1ccccn1)CCc2ccccn2

CAS 2095467-43-7
Molecular Weight (g/mol) 350.71
SMILES Cl.Cl.Cl.CN(CCc1ccccn1)CCc2ccccn2
Synonym 2-Pyridineethanamine, N-methyl-N-[2-(2-pyridinyl)ethyl]-, hydrochloride (1:3),N-Methyl-N-[2-(2-pyridinyl)ethyl]-2-pyridineethanamine trihydrochloride,Methylbis(2-pyridylethyl)amine trihydrochloride,N-Methylbis[2-(2-pyridylethyl)]amine trihydrochloride,N-Methyl-N,N-bis[2-(2-pyridylethyl)]amine trihydrochloride,N-Methyl-2-(pyridin-2-yl)-N-[2-(pyridin-2-yl)ethyl]ethanamine trihydrochloride
IUPAC Name N-methyl-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine;trihydrochloride
Molecular Formula C15 H19 N3 . 3 Cl H
7

(R)-(+)-N-(2-Hydroxyethyl)-α-phenylethylamine, 99%, Thermo Scientific™

CAS: 80548-31-8 Molecular Formula: C10H15NO Molecular Weight (g/mol): 165.23 MDL Number: MFCD01862171 InChI Key: GXIWMXAAPLZOBY-SECBINFHSA-N Synonym: r-+-2-1-phenylethyl amino ethanol,2-1r-1-phenylethyl amino ethan-1-ol,2-1r-1-phenylethyl amino ethanol,2-r-alpha-methylbenzylamino ethanol,ethanol, 2-1r-1-phenylethyl amino,r-+-n-2-hydroxyethyl-phenylethylamine,r-+-n-2-hydroxyethyl-alpha-methylbenzylamine,r-+-n-2-hydroxyethyl-alpha-phenylethylamine PubChem CID: 6993821 IUPAC Name: 2-[[(1R)-1-phenylethyl]amino]ethanol SMILES: CC(C1=CC=CC=C1)NCCO

PubChem CID 6993821
CAS 80548-31-8
Molecular Weight (g/mol) 165.23
MDL Number MFCD01862171
SMILES CC(C1=CC=CC=C1)NCCO
Synonym r-+-2-1-phenylethyl amino ethanol,2-1r-1-phenylethyl amino ethan-1-ol,2-1r-1-phenylethyl amino ethanol,2-r-alpha-methylbenzylamino ethanol,ethanol, 2-1r-1-phenylethyl amino,r-+-n-2-hydroxyethyl-phenylethylamine,r-+-n-2-hydroxyethyl-alpha-methylbenzylamine,r-+-n-2-hydroxyethyl-alpha-phenylethylamine
IUPAC Name 2-[[(1R)-1-phenylethyl]amino]ethanol
InChI Key GXIWMXAAPLZOBY-SECBINFHSA-N
Molecular Formula C10H15NO
9

(S)-(-)-N-(2-Hydroxyethyl)-α-phenylethylamine, 99%, Thermo Scientific™

CAS: 66849-29-4 Molecular Formula: C10H15NO Molecular Weight (g/mol): 165.23 MDL Number: MFCD01862172 InChI Key: GXIWMXAAPLZOBY-VIFPVBQESA-N Synonym: s-2-1-phenylethyl amino ethanol,2-1s-1-phenylethyl amino ethan-1-ol,2-1s-1-phenylethyl amino ethanol,s---n-2-hydroxyethyl-alpha-phenylethylamine,2-s-alpha-methylbenzyl amino ethanol,s-n-2-hydroxyethyl-a-phenylethylamine,ethanol,2-1s-1-phenylethyl amino,s-+-n-2-hydroxyethyl-phenylethylamine,s---n-2-hydroxyethyl-alpha-methylbenzylamine PubChem CID: 2733847 IUPAC Name: 2-[[(1S)-1-phenylethyl]amino]ethanol SMILES: CC(C1=CC=CC=C1)NCCO

PubChem CID 2733847
CAS 66849-29-4
Molecular Weight (g/mol) 165.23
MDL Number MFCD01862172
SMILES CC(C1=CC=CC=C1)NCCO
Synonym s-2-1-phenylethyl amino ethanol,2-1s-1-phenylethyl amino ethan-1-ol,2-1s-1-phenylethyl amino ethanol,s---n-2-hydroxyethyl-alpha-phenylethylamine,2-s-alpha-methylbenzyl amino ethanol,s-n-2-hydroxyethyl-a-phenylethylamine,ethanol,2-1s-1-phenylethyl amino,s-+-n-2-hydroxyethyl-phenylethylamine,s---n-2-hydroxyethyl-alpha-methylbenzylamine
IUPAC Name 2-[[(1S)-1-phenylethyl]amino]ethanol
InChI Key GXIWMXAAPLZOBY-VIFPVBQESA-N
Molecular Formula C10H15NO
11

Bromantane, TRC

CAS: 87913-26-6 Molecular Formula: C16 H20 Br N Molecular Weight (g/mol): 306.24 Synonym: Tricyclo[3.3.1.13,7]decan-2-amine, N-(4-bromophenyl)-,N-(4-Bromophenyl)tricyclo[3.3.1.13,7]decan-2-amine,Bromantan,Bromantane IUPAC Name: N-(4-bromophenyl)adamantan-2-amine SMILES: Brc1ccc(NC2[C@@H]3C[C@H]4C[C@H](C[C@@H]2C4)C3)cc1

CAS 87913-26-6
Molecular Weight (g/mol) 306.24
SMILES Brc1ccc(NC2[C@@H]3C[C@H]4C[C@H](C[C@@H]2C4)C3)cc1
Synonym Tricyclo[3.3.1.13,7]decan-2-amine, N-(4-bromophenyl)-,N-(4-Bromophenyl)tricyclo[3.3.1.13,7]decan-2-amine,Bromantan,Bromantane
IUPAC Name N-(4-bromophenyl)adamantan-2-amine
Molecular Formula C16 H20 Br N
12

PNU 142300, TRC

CAS: 368891-69-4 Molecular Formula: C16H20FN3O6 Molecular Weight (g/mol): 369.34 Synonym: N-[4-[(5S)-5-[(Acetylamino)methyl]-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-N-(2-hydroxyethyl)glycine; SMILES: CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NCCOCC(=O)O)F

CAS 368891-69-4
Molecular Weight (g/mol) 369.34
SMILES CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)NCCOCC(=O)O)F
Synonym N-[4-[(5S)-5-[(Acetylamino)methyl]-2-oxo-3-oxazolidinyl]-2-fluorophenyl]-N-(2-hydroxyethyl)glycine;
Molecular Formula C16H20FN3O6
13

Nefopam Hydrochloride, TRC

CAS: 23327-57-3 Molecular Formula: C17 H19 N O . Cl H Molecular Weight (g/mol): 289.8 Synonym: 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride (1:1),1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride (8CI,9CI),(±)-Nefopam hydrochloride,Acupan,Ajan,Fenazoxine,Fenazoxine hydrochloride,Nefopam hydrochloride,R 738 IUPAC Name: 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride SMILES: Cl.CN1CCOC(c2ccccc2)c3ccccc3C1

CAS 23327-57-3
Molecular Weight (g/mol) 289.8
SMILES Cl.CN1CCOC(c2ccccc2)c3ccccc3C1
Synonym 1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride (1:1),1H-2,5-Benzoxazocine, 3,4,5,6-tetrahydro-5-methyl-1-phenyl-, hydrochloride (8CI,9CI),(±)-Nefopam hydrochloride,Acupan,Ajan,Fenazoxine,Fenazoxine hydrochloride,Nefopam hydrochloride,R 738
IUPAC Name 5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine;hydrochloride
Molecular Formula C17 H19 N O . Cl H
14

rac-cis-7-Hydroxy Pramipexole, TRC

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CAS 1798014-87-5
Molecular Weight (g/mol) 227.327
InChI Formula InChI=1S/C10H17N3OS/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7/h6,8,12,14H,2-5H2,1H3,(H2,11,13)/t6-,8-/m0/s1
Chemical Name or Material (6RS,7RS)-2-Amino-6-(propylamino)-4,5,6,7-tetrahydrobenzothiazol-7-ol
SMILES CCCN[C@H]1CCc2nc(N)sc2[C@H]1O
Synonym 7-Benzothiazolol, 2-amino-4,5,6,7-tetrahydro-6-(propylamino)-, (6R,7R)-rel-,rel-(6S,7S)-2-Amino-4,5,6,7-tetrahydro-6-(propylamino)-7-benzothiazolol,(6RS,7RS)-2-Amino-6-(propylamino)-4,5,6,7-tetrahydrobenzothiazol-7-ol,rac-cis-7-Hydroxypramipexole,(±)-
Recommended Storage -20°C
IUPAC Name (6S,7S)-2-amino-6-(propylamino)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
Molecular Formula C10 H17 N3 O S
Formula Weight 227.109
15

Procyclidine Hydrochloride, TRC

CAS: 1508-76-5 Molecular Formula: C19 H29 N O . Cl H Molecular Weight (g/mol): 323.9 Synonym: 1-Pyrrolidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride (1:1),1-Pyrrolidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride (6CI,7CI,8CI,9CI),(±)-Procyclidine hydrochloride,1-Cyclohexyl-1-phenyl-3-pyrrolidino-1-propanol hydrochloride,Arpicolin,Kemadrin,Kemadrin hydrochloride,Osnervan,Procyclidine hydrochloride,Tricyclamol hydrochloride IUPAC Name: 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride SMILES: Cl.OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3

CAS 1508-76-5
Molecular Weight (g/mol) 323.9
SMILES Cl.OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3
Synonym 1-Pyrrolidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride (1:1),1-Pyrrolidinepropanol, α-cyclohexyl-α-phenyl-, hydrochloride (6CI,7CI,8CI,9CI),(±)-Procyclidine hydrochloride,1-Cyclohexyl-1-phenyl-3-pyrrolidino-1-propanol hydrochloride,Arpicolin,Kemadrin,Kemadrin hydrochloride,Osnervan,Procyclidine hydrochloride,Tricyclamol hydrochloride
IUPAC Name 1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
Molecular Formula C19 H29 N O . Cl H