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

Details

Stereochemistry RACEMIC
Molecular Formula C11H17N
Molecular Weight 163.2594
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Methylphenyl)butan-2-amine

SMILES

CCC(N)CC1=CC=C(C)C=C1

InChI

InChIKey=STYLTFHVTUCTSI-UHFFFAOYSA-N
InChI=1S/C11H17N/c1-3-11(12)8-10-6-4-9(2)5-7-10/h4-7,11H,3,8,12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H17N
Molecular Weight 163.2594
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:03:48 GMT 2023
Edited
by admin
on Sat Dec 16 17:03:48 GMT 2023
Record UNII
VYC2G7R2PC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-Methylphenyl)butan-2-amine
Systematic Name English
1-(4-Methyl-Phenyl)-2-butanamine
Systematic Name English
Benzeneethanamine, α-ethyl-4-methyl-
Systematic Name English
4-METHYLPHENYLISOBUTYLAMINE
Common Name English
α-Ethyl-4-methylbenzeneethanamine
Systematic Name English
Code System Code Type Description
CAS
147702-26-9
Created by admin on Sat Dec 16 17:03:48 GMT 2023 , Edited by admin on Sat Dec 16 17:03:48 GMT 2023
PRIMARY
WIKIPEDIA
4-Methylphenylisobutylamine
Created by admin on Sat Dec 16 17:03:48 GMT 2023 , Edited by admin on Sat Dec 16 17:03:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID90656191
Created by admin on Sat Dec 16 17:03:48 GMT 2023 , Edited by admin on Sat Dec 16 17:03:48 GMT 2023
PRIMARY
FDA UNII
VYC2G7R2PC
Created by admin on Sat Dec 16 17:03:48 GMT 2023 , Edited by admin on Sat Dec 16 17:03:48 GMT 2023
PRIMARY
PUBCHEM
43566024
Created by admin on Sat Dec 16 17:03:48 GMT 2023 , Edited by admin on Sat Dec 16 17:03:48 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE