2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile

C16H14F2N2 — CID 103912410

IUPAC2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
SMILESCC(NCc1cccc(C#N)c1F)c1ccccc1F
InChIInChI=1S/C16H14F2N2/c1-11(14-7-2-3-8-15(14)17)20-10-13-6-4-5-12(9-19)16(13)18/h2-8,11,20H,10H2,1H3
InChIKeyFADFRWXNLCXJTA-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.69
Rot. Bonds4

About 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile

2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile (PubChem CID 103912410) has the molecular formula C16H14F2N2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
PubChem CID103912410
Molecular FormulaC16H14F2N2
Molecular Weight272.30 g/mol
Exact Mass272.11
IUPAC Name2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
SMILESCC(NCc1cccc(C#N)c1F)c1ccccc1F
InChIInChI=1S/C16H14F2N2/c1-11(14-7-2-3-8-15(14)17)20-10-13-6-4-5-12(9-19)16(13)18/h2-8,11,20H,10H2,1H3
InChIKeyFADFRWXNLCXJTA-UHFFFAOYSA-N
XLogP3.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]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

2-fluoro-3-[[[(1R)-1-phenylethyl]amino]methyl]benzonitrile
CID 103913767
3-[[1-(2,5-dimethylfuran-3-yl)ethylamino]methyl]-2-fluorobenzonitrile
CID 104579159
3-[(butan-2-ylamino)methyl]-2-fluorobenzonitrile
CID 107114325
2-fluoro-3-[[[(1S)-1-(3-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 103993742
(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
3-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-2-fluorobenzonitrile
CID 103578375
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
2-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]benzonitrile
CID 107935967
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
(1S)-1-(2-chlorophenyl)-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 81377742
3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile
CID 42914218
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile?
The IUPAC name of 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile (CID 103912410) is 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile.
What is the SMILES notation for 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile?
The canonical SMILES for 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile is CC(NCc1cccc(C#N)c1F)c1ccccc1F.
What is the InChIKey of 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile?
The InChIKey is FADFRWXNLCXJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2/c1-11(14-7-2-3-8-15(14)17)20-10-13-6-4-5-12(9-19)16(13)18/h2-8,11,20H,10H2,1H3.
What are the key properties of 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile?
2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile has a molecular weight of 272.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-[[1-(2-fluorophenyl)ethylamino]methyl]benzonitrile is sourced from PubChem (CID 103912410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).