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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H17N
Molecular Weight 163.2594
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC[C@H](N)CC1=CC=C(C)C=C1

InChI

InChIKey=STYLTFHVTUCTSI-NSHDSACASA-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/t11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C11H17N
Molecular Weight 163.2594
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:55:21 GMT 2025
Edited
by admin
on Wed Apr 02 14:55:21 GMT 2025
Record UNII
UY7XAX3VST
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2S)-1-(4-methylphenyl)butan-2-amine
Preferred Name English
1-(4-Methylphenyl)butan-2-amine, (2S)-
Systematic Name English
(?S)-?-Ethyl-4-methylbenzeneethanamine
Systematic Name English
Benzeneethanamine, ?-ethyl-4-methyl-, (?S)-
Systematic Name English
Code System Code Type Description
FDA UNII
UY7XAX3VST
Created by admin on Wed Apr 02 14:55:21 GMT 2025 , Edited by admin on Wed Apr 02 14:55:21 GMT 2025
PRIMARY
CAS
1604269-83-1
Created by admin on Wed Apr 02 14:55:21 GMT 2025 , Edited by admin on Wed Apr 02 14:55:21 GMT 2025
PRIMARY
PUBCHEM
39235935
Created by admin on Wed Apr 02 14:55:21 GMT 2025 , Edited by admin on Wed Apr 02 14:55:21 GMT 2025
PRIMARY
Related Record Type Details
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