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

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18FN3
Molecular Weight 295.354
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[(R)-(3-Amino-4-fluorophenyl)[(cyclopropylmethyl)amino]methyl]benzonitrile

SMILES

NC1=CC(=CC=C1F)[C@H](NCC2CC2)C3=CC=CC(=C3)C#N

InChI

InChIKey=GVTYLWRAVNVWDW-GOSISDBHSA-N
InChI=1S/C18H18FN3/c19-16-7-6-15(9-17(16)21)18(22-11-12-4-5-12)14-3-1-2-13(8-14)10-20/h1-3,6-9,12,18,22H,4-5,11,21H2/t18-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
3-[(R)-(3-Amino-4-fluorophenyl)[(cyclopropylmethyl)amino]methyl]benzonitrile
Systematic Name English
(+)-3-[(3-Amino-4-fluorophenyl)(cyclopropylmethylamino)methyl]benzonitrile
Preferred Name English
Benzonitrile, 3-[(R)-(3-amino-4-fluorophenyl)[(cyclopropylmethyl)amino]methyl]-
Systematic Name English
Code System Code Type Description
PUBCHEM
126681764
Created by admin on Wed Apr 02 19:20:43 GMT 2025 , Edited by admin on Wed Apr 02 19:20:43 GMT 2025
PRIMARY
FDA UNII
5FA72G8VYK
Created by admin on Wed Apr 02 19:20:43 GMT 2025 , Edited by admin on Wed Apr 02 19:20:43 GMT 2025
PRIMARY
CAS
1809020-43-6
Created by admin on Wed Apr 02 19:20:43 GMT 2025 , Edited by admin on Wed Apr 02 19:20:43 GMT 2025
PRIMARY