5-methyl-2-[(3-methylphenyl)methyl]benzonitrile

C16H15N — CID 142157739

IUPAC5-methyl-2-[(3-methylphenyl)methyl]benzonitrile
SMILESCc1cccc(Cc2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H15N/c1-12-4-3-5-14(8-12)10-15-7-6-13(2)9-16(15)11-17/h3-9H,10H2,1-2H3
InChIKeyKFGVMZOGRYHSET-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.77
Rot. Bonds2

About 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile

5-methyl-2-[(3-methylphenyl)methyl]benzonitrile (PubChem CID 142157739) has the molecular formula C16H15N and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[(3-methylphenyl)methyl]benzonitrile
PubChem CID142157739
Molecular FormulaC16H15N
Molecular Weight221.30 g/mol
Exact Mass221.12
IUPAC Name5-methyl-2-[(3-methylphenyl)methyl]benzonitrile
SMILESCc1cccc(Cc2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H15N/c1-12-4-3-5-14(8-12)10-15-7-6-13(2)9-16(15)11-17/h3-9H,10H2,1-2H3
InChIKeyKFGVMZOGRYHSET-UHFFFAOYSA-N
XLogP3.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
CID 107927097
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
CID 62313204
2-benzyl-5-fluorobenzonitrile
CID 166114436
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
4-fluoro-2-[(3-methylphenyl)methylsulfanylmethyl]benzonitrile
CID 107906073
2-fluoro-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]benzonitrile
CID 103912076
2,4-dimethyl-1-[2-(3-methylphenyl)ethyl]benzene
CID 165145096
3-[(2,4-dimethylphenyl)methyl]-N-methylaniline
CID 116925863
2-[(3-methylphenyl)methyl]-5-nitrobenzoic acid
CID 159218674
6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 62771802
1-[(3-methylphenyl)methyl]perylene
CID 151879592
2-[(2-methyl-4-pyridinyl)methyl]benzonitrile
CID 166100145

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile?
The IUPAC name of 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile (CID 142157739) is 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile.
What is the SMILES notation for 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile?
The canonical SMILES for 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile is Cc1cccc(Cc2ccc(C)cc2C#N)c1.
What is the InChIKey of 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile?
The InChIKey is KFGVMZOGRYHSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N/c1-12-4-3-5-14(8-12)10-15-7-6-13(2)9-16(15)11-17/h3-9H,10H2,1-2H3.
What are the key properties of 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile?
5-methyl-2-[(3-methylphenyl)methyl]benzonitrile has a molecular weight of 221.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methylphenyl)methyl]benzonitrile is sourced from PubChem (CID 142157739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).