4-methyl-2-(2-methylanilino)benzonitrile

C15H14N2 — CID 62302441

IUPAC4-methyl-2-(2-methylanilino)benzonitrile
SMILESCc1ccc(C#N)c(Nc2ccccc2C)c1
InChIInChI=1S/C15H14N2/c1-11-7-8-13(10-16)15(9-11)17-14-6-4-3-5-12(14)2/h3-9,17H,1-2H3
InChIKeyYTOCDTXYRPJBRY-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.92
Rot. Bonds2

About 4-methyl-2-(2-methylanilino)benzonitrile

4-methyl-2-(2-methylanilino)benzonitrile (PubChem CID 62302441) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methyl-2-(2-methylanilino)benzonitrile.

Molecular Properties

Compound Name4-methyl-2-(2-methylanilino)benzonitrile
PubChem CID62302441
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name4-methyl-2-(2-methylanilino)benzonitrile
SMILESCc1ccc(C#N)c(Nc2ccccc2C)c1
InChIInChI=1S/C15H14N2/c1-11-7-8-13(10-16)15(9-11)17-14-6-4-3-5-12(14)2/h3-9,17H,1-2H3
InChIKeyYTOCDTXYRPJBRY-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

2-(2,5-dimethylanilino)benzonitrile
CID 11746208
2-[2-(methoxymethyl)anilino]-4-methylbenzonitrile
CID 55056695
2-(4-methoxy-2-methylanilino)-4-methylbenzonitrile
CID 62870994
4-methyl-2-[2-(trifluoromethoxy)anilino]benzonitrile
CID 63511232
2-(3-chloro-2-fluoroanilino)-4-methylbenzonitrile
CID 63510091
2-(2,5-difluoroanilino)-4-methylbenzonitrile
CID 62303625
2-[4-(dimethylamino)anilino]-4-methylbenzonitrile
CID 55057077
2-(2-bromo-5-chloro-4-methylanilino)-4-methylbenzonitrile
CID 104723789
4-(2,5-dimethylanilino)-2-methylbenzonitrile
CID 81277304
2-(3-chloroanilino)-4-methylbenzonitrile
CID 55194414
2-(2-bromo-4-fluoroanilino)-4-methylbenzonitrile
CID 63510593
2-(2-bromo-5-methylanilino)-4-chlorobenzonitrile
CID 82756889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylanilino)benzonitrile?
The IUPAC name of 4-methyl-2-(2-methylanilino)benzonitrile (CID 62302441) is 4-methyl-2-(2-methylanilino)benzonitrile.
What is the SMILES notation for 4-methyl-2-(2-methylanilino)benzonitrile?
The canonical SMILES for 4-methyl-2-(2-methylanilino)benzonitrile is Cc1ccc(C#N)c(Nc2ccccc2C)c1.
What is the InChIKey of 4-methyl-2-(2-methylanilino)benzonitrile?
The InChIKey is YTOCDTXYRPJBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2/c1-11-7-8-13(10-16)15(9-11)17-14-6-4-3-5-12(14)2/h3-9,17H,1-2H3.
What are the key properties of 4-methyl-2-(2-methylanilino)benzonitrile?
4-methyl-2-(2-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 4-methyl-2-(2-methylanilino)benzonitrile is sourced from PubChem (CID 62302441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).