2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile

C16H15FN2 — CID 63648282

IUPAC2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
SMILESCc1cccc(NC(C#N)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15FN2/c1-11-4-3-5-14(8-11)19-16(10-18)13-7-6-12(2)15(17)9-13/h3-9,16,19H,1-2H3
InChIKeyLMTXFFJYDSJKGR-UHFFFAOYSA-N
MW254.31 g/mol
LogP4.12
Rot. Bonds3

About 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile

2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile (PubChem CID 63648282) has the molecular formula C16H15FN2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
PubChem CID63648282
Molecular FormulaC16H15FN2
Molecular Weight254.31 g/mol
Exact Mass254.12
IUPAC Name2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile
SMILESCc1cccc(NC(C#N)c2ccc(C)c(F)c2)c1
InChIInChI=1S/C16H15FN2/c1-11-4-3-5-14(8-11)19-16(10-18)13-7-6-12(2)15(17)9-13/h3-9,16,19H,1-2H3
InChIKeyLMTXFFJYDSJKGR-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)-2-(3-methylanilino)acetonitrile
CID 63669114
2-(2-chloroanilino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 55246340
2-(4-bromo-2-fluorophenyl)-2-(3-methylanilino)acetonitrile
CID 54886740
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-(3-bromoanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686152
2-(3-fluoroanilino)-2-(3-fluoro-4-hydroxyphenyl)acetonitrile
CID 107686150
2-(3-bromo-4-fluorophenyl)-2-(3-fluoroanilino)acetonitrile
CID 54886516
2-(4-chloroanilino)-2-(4-fluoro-3-methylphenyl)acetonitrile
CID 62121850
2-(3-bromo-4-methylphenyl)-2-(4-fluoroanilino)acetonitrile
CID 105401756
2-(3-bromoanilino)-2-(3-chloro-4-fluorophenyl)acetonitrile
CID 81145148
2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile
CID 54886362
2-(butan-2-ylamino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648620

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile (CID 63648282) is 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile is Cc1cccc(NC(C#N)c2ccc(C)c(F)c2)c1.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile?
The InChIKey is LMTXFFJYDSJKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2/c1-11-4-3-5-14(8-11)19-16(10-18)13-7-6-12(2)15(17)9-13/h3-9,16,19H,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile?
2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile has a molecular weight of 254.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-2-(3-methylanilino)acetonitrile is sourced from PubChem (CID 63648282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).