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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H15NO.ClH
Molecular Weight 201.693
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[(1S)-1-(Dimethylamino)ethyl]phenol hydrochloride

SMILES

Cl.C[C@H](N(C)C)C1=CC=C(O)C=C1

InChI

InChIKey=VTGLMJLHXOONFM-QRPNPIFTSA-N
InChI=1S/C10H15NO.ClH/c1-8(11(2)3)9-4-6-10(12)7-5-9;/h4-8,12H,1-3H3;1H/t8-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C10H15NO
Molecular Weight 165.2322
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 19:09:43 GMT 2025
Edited
by admin
on Wed Apr 02 19:09:43 GMT 2025
Record UNII
8X238D64UZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenol, 4-[(1S)-1-(dimethylamino)ethyl]-, hydrochloride (1:1)
Preferred Name English
4-[(1S)-1-(Dimethylamino)ethyl]phenol hydrochloride
Systematic Name English
Code System Code Type Description
CAS
1360442-40-5
Created by admin on Wed Apr 02 19:09:43 GMT 2025 , Edited by admin on Wed Apr 02 19:09:43 GMT 2025
PRIMARY
FDA UNII
8X238D64UZ
Created by admin on Wed Apr 02 19:09:43 GMT 2025 , Edited by admin on Wed Apr 02 19:09:43 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE