2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile

C16H15FN2 — CID 107803347

IUPAC2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
SMILESCc1cc(CNc2cccc(C)c2C#N)ccc1F
InChIInChI=1S/C16H15FN2/c1-11-4-3-5-16(14(11)9-18)19-10-13-6-7-15(17)12(2)8-13/h3-8,19H,10H2,1-2H3
InChIKeySELJIFDXNCWZJS-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.93
Rot. Bonds3

About 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile

2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile (PubChem CID 107803347) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
PubChem CID107803347
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
SMILESCc1cc(CNc2cccc(C)c2C#N)ccc1F
InChIInChI=1S/C16H15FN2/c1-11-4-3-5-16(14(11)9-18)19-10-13-6-7-15(17)12(2)8-13/h3-8,19H,10H2,1-2H3
InChIKeySELJIFDXNCWZJS-UHFFFAOYSA-N
XLogP3.93
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-cyano-4-fluorophenyl)methylamino]-6-methylbenzonitrile
CID 107880704
2-[(3,5-difluorophenyl)methylamino]-6-methylbenzonitrile
CID 107802943
2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
CID 107803129
2-[(3,4-dihydroxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803407
2-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107804618
2-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-3-methylaniline
CID 114251741
2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107803576
2-chloro-6-[(3-chloro-4-fluorophenyl)methylamino]benzonitrile
CID 62539428
3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-2-methylaniline
CID 63419437
2-methyl-6-(pyrimidin-5-ylmethylamino)benzonitrile
CID 114002990
2-methyl-6-[(4-nitrophenyl)methylamino]benzonitrile
CID 107803143
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 107803442

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile?
The IUPAC name of 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile (CID 107803347) is 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile is Cc1cc(CNc2cccc(C)c2C#N)ccc1F.
What is the InChIKey of 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile?
The InChIKey is SELJIFDXNCWZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-11-4-3-5-16(14(11)9-18)19-10-13-6-7-15(17)12(2)8-13/h3-8,19H,10H2,1-2H3.
What are the key properties of 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile?
2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile has a molecular weight of 254.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile is sourced from PubChem (CID 107803347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).