3-methyl-2-(3-methylphenyl)benzonitrile

C15H13N — CID 172915333

IUPAC3-methyl-2-(3-methylphenyl)benzonitrile
SMILESCc1cccc(-c2c(C)cccc2C#N)c1
InChIInChI=1S/C15H13N/c1-11-5-3-7-13(9-11)15-12(2)6-4-8-14(15)10-16/h3-9H,1-2H3
InChIKeyQZQJUMFIVYBSGU-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.84
Rot. Bonds1

About 3-methyl-2-(3-methylphenyl)benzonitrile

3-methyl-2-(3-methylphenyl)benzonitrile (PubChem CID 172915333) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-2-(3-methylphenyl)benzonitrile.

Molecular Properties

Compound Name3-methyl-2-(3-methylphenyl)benzonitrile
PubChem CID172915333
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name3-methyl-2-(3-methylphenyl)benzonitrile
SMILESCc1cccc(-c2c(C)cccc2C#N)c1
InChIInChI=1S/C15H13N/c1-11-5-3-7-13(9-11)15-12(2)6-4-8-14(15)10-16/h3-9H,1-2H3
InChIKeyQZQJUMFIVYBSGU-UHFFFAOYSA-N
XLogP3.84
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methoxyphenyl)-3-methylbenzonitrile
CID 172915337
3-methyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzonitrile
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benzene-1,2-dicarbonitrile;3-methylaniline
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10-(3-methylphenyl)anthracene-9-carbonitrile
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2-hydroxy-5-(3-methylphenyl)benzonitrile
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3-methyl-2-(4-methylsulfonylphenyl)benzonitrile
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2-[5,6-bis(3,5-dimethylphenyl)pyrazin-2-yl]-3-methylbenzonitrile
CID 129241512
5-(2,6-dimethylphenyl)-2-fluorobenzene-1,3-dicarbonitrile;ethane
CID 144713865
methanamine;2-methylbenzonitrile
CID 144641248
6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile
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2-methylbenzonitrile
CID 162098401
3-amino-2-[3-(trifluoromethyl)phenyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylphenyl)benzonitrile?
The IUPAC name of 3-methyl-2-(3-methylphenyl)benzonitrile (CID 172915333) is 3-methyl-2-(3-methylphenyl)benzonitrile.
What is the SMILES notation for 3-methyl-2-(3-methylphenyl)benzonitrile?
The canonical SMILES for 3-methyl-2-(3-methylphenyl)benzonitrile is Cc1cccc(-c2c(C)cccc2C#N)c1.
What is the InChIKey of 3-methyl-2-(3-methylphenyl)benzonitrile?
The InChIKey is QZQJUMFIVYBSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-11-5-3-7-13(9-11)15-12(2)6-4-8-14(15)10-16/h3-9H,1-2H3.
What are the key properties of 3-methyl-2-(3-methylphenyl)benzonitrile?
3-methyl-2-(3-methylphenyl)benzonitrile has a molecular weight of 207.28 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylphenyl)benzonitrile is sourced from PubChem (CID 172915333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).