2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile

C16H15FN2O — CID 107466922

IUPAC2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1ccc(F)c(C)c1
InChIInChI=1S/C16H15FN2O/c1-11-8-12(6-7-14(11)17)10-19-16-13(9-18)4-3-5-15(16)20-2/h3-8,19H,10H2,1-2H3
InChIKeyQSADBRAVVNGITP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.63
Rot. Bonds4

About 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile

2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile (PubChem CID 107466922) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile
PubChem CID107466922
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1ccc(F)c(C)c1
InChIInChI=1S/C16H15FN2O/c1-11-8-12(6-7-14(11)17)10-19-16-13(9-18)4-3-5-15(16)20-2/h3-8,19H,10H2,1-2H3
InChIKeyQSADBRAVVNGITP-UHFFFAOYSA-N
XLogP3.63
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile 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-[(3,4-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466691
2-[(3-chloro-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466784
2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467002
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
3-methoxy-2-[[3-(methoxymethyl)phenyl]methylamino]benzonitrile
CID 107467080
4-[(2,6-difluoroanilino)methyl]-2-methoxybenzonitrile
CID 106787022
2-[(4-cyano-2-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467415
2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile
CID 107466650
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174
2-[(3-bromo-2,6-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 106263819
2-[(2-bromo-4-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467448
2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile (CID 107466922) is 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile is COc1cccc(C#N)c1NCc1ccc(F)c(C)c1.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile?
The InChIKey is QSADBRAVVNGITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11-8-12(6-7-14(11)17)10-19-16-13(9-18)4-3-5-15(16)20-2/h3-8,19H,10H2,1-2H3.
What are the key properties of 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile?
2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile has a molecular weight of 270.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 107466922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).