3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile

C15H14FN3 — CID 81405303

IUPAC3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
SMILESC[C@@H](NCc1ccc(C#N)cc1F)c1cccnc1
InChIInChI=1S/C15H14FN3/c1-11(13-3-2-6-18-9-13)19-10-14-5-4-12(8-17)7-15(14)16/h2-7,9,11,19H,10H2,1H3/t11-/m1/s1
InChIKeyYIMMDTJFFJEMOE-LLVKDONJSA-N
MW255.30 g/mol
LogP2.94
Rot. Bonds4

About 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile

3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile (PubChem CID 81405303) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
PubChem CID81405303
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
SMILESC[C@@H](NCc1ccc(C#N)cc1F)c1cccnc1
InChIInChI=1S/C15H14FN3/c1-11(13-3-2-6-18-9-13)19-10-14-5-4-12(8-17)7-15(14)16/h2-7,9,11,19H,10H2,1H3/t11-/m1/s1
InChIKeyYIMMDTJFFJEMOE-LLVKDONJSA-N
XLogP2.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-4-[(1-phenylethylamino)methyl]benzonitrile
CID 43179320
3-fluoro-4-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]benzonitrile
CID 81347792
4-fluoro-3-[[[(1S)-1-phenylethyl]amino]methyl]benzonitrile
CID 28564819
3-fluoro-4-[[[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]amino]methyl]benzonitrile
CID 97231659
N-[(2-chloro-3-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 112651837
2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
1,5-dimethyl-4-[(1-pyridin-3-ylethylamino)methyl]pyrrole-2-carbonitrile
CID 115572961
N-[(4-chloro-2-methylphenyl)methyl]-1-pyridin-3-ylethanamine
CID 104853862
(1S)-N-[(2,6-difluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 28654981
(1S)-N-[(2,4-difluoro-5-nitrophenyl)methyl]-1-pyridin-3-ylethanamine
CID 81391936
4-[1-hydroxy-2-[[(1S)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81403976
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-pyridin-3-ylethanamine
CID 102615860

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile?
The IUPAC name of 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile (CID 81405303) is 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile?
The canonical SMILES for 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile is C[C@@H](NCc1ccc(C#N)cc1F)c1cccnc1.
What is the InChIKey of 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile?
The InChIKey is YIMMDTJFFJEMOE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14FN3/c1-11(13-3-2-6-18-9-13)19-10-14-5-4-12(8-17)7-15(14)16/h2-7,9,11,19H,10H2,1H3/t11-/m1/s1.
What are the key properties of 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile?
3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile has a molecular weight of 255.30 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile is sourced from PubChem (CID 81405303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).