2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile

C16H15FN2O — CID 107804560

IUPAC2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
SMILESCOc1ccc(CNc2cccc(C)c2C#N)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-11-4-3-5-16(14(11)9-18)19-10-12-6-7-13(20-2)8-15(12)17/h3-8,19H,10H2,1-2H3
InChIKeyYVTLRIKFGOLCSA-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.63
Rot. Bonds4

About 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile

2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile (PubChem CID 107804560) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
PubChem CID107804560
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile
SMILESCOc1ccc(CNc2cccc(C)c2C#N)c(F)c1
InChIInChI=1S/C16H15FN2O/c1-11-4-3-5-16(14(11)9-18)19-10-12-6-7-13(20-2)8-15(12)17/h3-8,19H,10H2,1-2H3
InChIKeyYVTLRIKFGOLCSA-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

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Related Compounds

2-[(2,5-dimethoxyphenyl)methylamino]-6-fluorobenzonitrile
CID 31664189
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 107803442
2-[(2,4-dihydroxyphenyl)methylamino]-6-methylbenzonitrile
CID 107802963
2-bromo-6-[(2,4-dimethoxyphenyl)methylamino]benzonitrile
CID 114881040
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347
2-bromo-3-chloro-N-[(2-fluoro-4-methoxyphenyl)methyl]aniline
CID 103478952
2-[(3,5-difluorophenyl)methylamino]-6-methylbenzonitrile
CID 107802943
2,5-dichloro-N-[(2-fluoro-4-methoxyphenyl)methyl]-4-methylaniline
CID 102876635
4-[(2-cyano-5-methoxyanilino)methyl]-3-fluorobenzonitrile
CID 81297290
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-methyl-3-nitroaniline
CID 18512135
2-[(3-cyano-4-fluorophenyl)methylamino]-6-methylbenzonitrile
CID 107880704
2-[(4-cyano-2-methylphenyl)methylamino]-6-fluorobenzonitrile
CID 114479886

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile?
The IUPAC name of 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile (CID 107804560) is 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile is COc1ccc(CNc2cccc(C)c2C#N)c(F)c1.
What is the InChIKey of 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile?
The InChIKey is YVTLRIKFGOLCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11-4-3-5-16(14(11)9-18)19-10-12-6-7-13(20-2)8-15(12)17/h3-8,19H,10H2,1-2H3.
What are the key properties of 2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile?
2-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile 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-[(2-fluoro-4-methoxyphenyl)methylamino]-6-methylbenzonitrile is sourced from PubChem (CID 107804560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).