U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C10H15N
Molecular Weight 149.2328
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Phenylbutan-2-amine

SMILES

CCC(N)CC1=CC=CC=C1

InChI

InChIKey=IOLQWLOHKZENDW-UHFFFAOYSA-N
InChI=1S/C10H15N/c1-2-10(11)8-9-6-4-3-5-7-9/h3-7,10H,2,8,11H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H15N
Molecular Weight 149.2328
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Designer phenethylamines routinely found in human urine: 2-ethylamino-1-phenylbutane and 2-amino-1-phenylbutane.
2014-03
Substance Class Chemical
Created
by admin
on Wed Apr 02 08:40:25 GMT 2025
Edited
by admin
on Wed Apr 02 08:40:25 GMT 2025
Record UNII
L76NRN6FL5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Phenylbutan-2-amine
Systematic Name English
PHENETHYLAMINE, ALPHA-ETHYL-
Preferred Name English
PHENYLISOBUTYLAMINE
Common Name English
AURORA KA-7111
Common Name English
(±)-?-Ethylphenylethylamine
Systematic Name English
Benzeneethanamine, ?-ethyl-
Systematic Name English
1-Benzylpropylamine
Systematic Name English
DL-?-Ethylphenethylamine
Systematic Name English
1-Phenyl-2-butanamine
Systematic Name English
Phenethylamine, ?-ethyl-, (±)-
Systematic Name English
Code System Code Type Description
FDA UNII
L76NRN6FL5
Created by admin on Wed Apr 02 08:40:25 GMT 2025 , Edited by admin on Wed Apr 02 08:40:25 GMT 2025
PRIMARY
PUBCHEM
103771
Created by admin on Wed Apr 02 08:40:25 GMT 2025 , Edited by admin on Wed Apr 02 08:40:25 GMT 2025
PRIMARY
WIKIPEDIA
Phenylisobutylamine
Created by admin on Wed Apr 02 08:40:25 GMT 2025 , Edited by admin on Wed Apr 02 08:40:25 GMT 2025
PRIMARY
EPA CompTox
DTXSID50874112
Created by admin on Wed Apr 02 08:40:25 GMT 2025 , Edited by admin on Wed Apr 02 08:40:25 GMT 2025
PRIMARY
CAS
30543-88-5
Created by admin on Wed Apr 02 08:40:25 GMT 2025 , Edited by admin on Wed Apr 02 08:40:25 GMT 2025
PRIMARY
CAS
53309-89-0
Created by admin on Wed Apr 02 08:40:25 GMT 2025 , Edited by admin on Wed Apr 02 08:40:25 GMT 2025
SUPERSEDED
Related Record Type Details
ANALOGUE->TARGET
ENANTIOMER -> RACEMATE
SALT/SOLVATE -> PARENT