2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile

C15H13FN2 — CID 62308969

IUPAC2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NCc2ccccc2F)c1
InChIInChI=1S/C15H13FN2/c1-11-6-7-12(9-17)15(8-11)18-10-13-4-2-3-5-14(13)16/h2-8,18H,10H2,1H3
InChIKeyWJTBSHLGHWPXIK-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.62
Rot. Bonds3

About 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile

2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile (PubChem CID 62308969) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
PubChem CID62308969
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile
SMILESCc1ccc(C#N)c(NCc2ccccc2F)c1
InChIInChI=1S/C15H13FN2/c1-11-6-7-12(9-17)15(8-11)18-10-13-4-2-3-5-14(13)16/h2-8,18H,10H2,1H3
InChIKeyWJTBSHLGHWPXIK-UHFFFAOYSA-N
XLogP3.62
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile 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

4-methyl-2-[[2-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 62879958
2-[[2-(methoxymethyl)phenyl]methylamino]-4-methylbenzonitrile
CID 62306735
2-[(2-fluoro-4-methylanilino)methyl]benzonitrile
CID 28879330
2-[(2-bromo-5-fluorophenyl)methylamino]-4-methylbenzonitrile
CID 62307264
2-(1,3-benzodioxol-4-ylmethylamino)-4-methylbenzonitrile
CID 62307446
2-[(2-bromo-5-methylanilino)methyl]benzonitrile
CID 103865844
2-bromo-4-[(2-fluorophenyl)methylamino]benzonitrile
CID 107275835
4-chloro-2-[(2-hydroxy-5-methylphenyl)methylamino]benzonitrile
CID 63326527
N-[(2-ethylphenyl)methyl]-2-fluoro-5-methylaniline
CID 63422344
2-fluoro-6-[(2-fluorophenyl)methylamino]benzonitrile
CID 43399512
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
4-bromo-2-[(2,5-dimethylphenyl)methylamino]benzonitrile
CID 107797250

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile?
The IUPAC name of 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile (CID 62308969) is 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile.
What is the SMILES notation for 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile?
The canonical SMILES for 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile is Cc1ccc(C#N)c(NCc2ccccc2F)c1.
What is the InChIKey of 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile?
The InChIKey is WJTBSHLGHWPXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-11-6-7-12(9-17)15(8-11)18-10-13-4-2-3-5-14(13)16/h2-8,18H,10H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile?
2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile has a molecular weight of 240.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylamino]-4-methylbenzonitrile is sourced from PubChem (CID 62308969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).