3-methyl-4-(3-methylanilino)benzonitrile

C15H14N2 — CID 54934182

IUPAC3-methyl-4-(3-methylanilino)benzonitrile
SMILESCc1cccc(Nc2ccc(C#N)cc2C)c1
InChIInChI=1S/C15H14N2/c1-11-4-3-5-14(8-11)17-15-7-6-13(10-16)9-12(15)2/h3-9,17H,1-2H3
InChIKeyYXONQCHSZASSQE-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.92
Rot. Bonds2

About 3-methyl-4-(3-methylanilino)benzonitrile

3-methyl-4-(3-methylanilino)benzonitrile (PubChem CID 54934182) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-4-(3-methylanilino)benzonitrile.

Molecular Properties

Compound Name3-methyl-4-(3-methylanilino)benzonitrile
PubChem CID54934182
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name3-methyl-4-(3-methylanilino)benzonitrile
SMILESCc1cccc(Nc2ccc(C#N)cc2C)c1
InChIInChI=1S/C15H14N2/c1-11-4-3-5-14(8-11)17-15-7-6-13(10-16)9-12(15)2/h3-9,17H,1-2H3
InChIKeyYXONQCHSZASSQE-UHFFFAOYSA-N
XLogP3.92
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethylanilino)benzonitrile
CID 29269980
4-(3-chloro-4-methylanilino)-3-methylbenzonitrile
CID 55195164
4-(4-fluoroanilino)-3-methylbenzonitrile
CID 54933992
2-methyl-1-N-(3-methylphenyl)benzene-1,4-diamine
CID 43165599
3-methyl-4-(methylamino)benzonitrile
CID 23343732
3-(4-amino-2-bromo-5-methylanilino)benzonitrile
CID 114048145
3-[[6-(4-bromo-2-methylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112867017
1-(2-amino-4-cyanophenyl)-3-(3-methylphenyl)urea
CID 78965300
4-(4-methoxy-2-methylanilino)-3-methylbenzonitrile
CID 55129912
3-(4-amino-5-chloro-2-methylanilino)benzonitrile
CID 113334167
3-(2-bromo-5-chloro-4-methylanilino)benzonitrile
CID 102817277
4-ethoxy-2-methyl-N-(3-methylphenyl)aniline
CID 70470964

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-methylanilino)benzonitrile?
The IUPAC name of 3-methyl-4-(3-methylanilino)benzonitrile (CID 54934182) is 3-methyl-4-(3-methylanilino)benzonitrile.
What is the SMILES notation for 3-methyl-4-(3-methylanilino)benzonitrile?
The canonical SMILES for 3-methyl-4-(3-methylanilino)benzonitrile is Cc1cccc(Nc2ccc(C#N)cc2C)c1.
What is the InChIKey of 3-methyl-4-(3-methylanilino)benzonitrile?
The InChIKey is YXONQCHSZASSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-4-3-5-14(8-11)17-15-7-6-13(10-16)9-12(15)2/h3-9,17H,1-2H3.
What are the key properties of 3-methyl-4-(3-methylanilino)benzonitrile?
3-methyl-4-(3-methylanilino)benzonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylanilino)benzonitrile is sourced from PubChem (CID 54934182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).