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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H13NO
Molecular Weight 151.2056
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Methoxyphenyl)ethanamine, (1S)-

SMILES

COC1=CC=C(C=C1)[C@H](C)N

InChI

InChIKey=JTDGKQNNPKXKII-ZETCQYMHSA-N
InChI=1S/C9H13NO/c1-7(10)8-3-5-9(11-2)6-4-8/h3-7H,10H2,1-2H3/t7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H13NO
Molecular Weight 151.2056
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 Sat Dec 16 20:13:45 GMT 2023
Edited
by admin
on Sat Dec 16 20:13:45 GMT 2023
Record UNII
BDP7534CFN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-Methoxyphenyl)ethanamine, (1S)-
Common Name English
(αS)-4-Methoxy-α-methylbenzenemethanamine
Systematic Name English
(1S)-1-(4-Methoxyphenyl)ethan-1-amine
Systematic Name English
[(1S)-1-[4-(Methyloxy)phenyl]ethyl]amine
Systematic Name English
(-)-α-(4-Methoxyphenyl)ethylamine
Systematic Name English
Code System Code Type Description
PUBCHEM
793467
Created by admin on Sat Dec 16 20:13:46 GMT 2023 , Edited by admin on Sat Dec 16 20:13:46 GMT 2023
PRIMARY
CAS
41851-59-6
Created by admin on Sat Dec 16 20:13:46 GMT 2023 , Edited by admin on Sat Dec 16 20:13:46 GMT 2023
PRIMARY
FDA UNII
BDP7534CFN
Created by admin on Sat Dec 16 20:13:46 GMT 2023 , Edited by admin on Sat Dec 16 20:13:46 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER