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

C16H16N2 — CID 107927097

IUPAC5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
SMILESCc1cccc(CNc2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H16N2/c1-12-4-3-5-14(8-12)11-18-16-7-6-13(2)9-15(16)10-17/h3-9,18H,11H2,1-2H3
InChIKeyFBFOVWDDUZDJRO-UHFFFAOYSA-N
MW236.32 g/mol
LogP3.79
Rot. Bonds3

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

5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile (PubChem CID 107927097) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
PubChem CID107927097
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
SMILESCc1cccc(CNc2ccc(C)cc2C#N)c1
InChIInChI=1S/C16H16N2/c1-12-4-3-5-14(8-12)11-18-16-7-6-13(2)9-15(16)10-17/h3-9,18H,11H2,1-2H3
InChIKeyFBFOVWDDUZDJRO-UHFFFAOYSA-N
XLogP3.79
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]benzonitrile
CID 107926869
2-[(4-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107926880
2-[(3,5-dimethylphenyl)methylamino]benzonitrile
CID 54980162
2,6-dimethyl-4-[(3-methylphenyl)methylamino]pyridine-3-carbonitrile
CID 81060441
4-[(3-methylphenyl)methylamino]-3-(trifluoromethyl)benzonitrile
CID 43687029
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
CID 62313204
3-fluoro-4-methyl-5-[(3-methylphenyl)methylamino]benzonitrile
CID 43728296
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-methylbenzonitrile
CID 107927620
5-methyl-2-[(3-methylphenyl)methyl]benzonitrile
CID 142157739
5-bromo-2-[(3-cyanophenyl)methylamino]benzonitrile
CID 82708745
2-[(2-chloro-6-methoxyphenyl)methylamino]-5-methylbenzonitrile
CID 107927942

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile?
The IUPAC name of 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile (CID 107927097) is 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile.
What is the SMILES notation for 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile?
The canonical SMILES for 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile is Cc1cccc(CNc2ccc(C)cc2C#N)c1.
What is the InChIKey of 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile?
The InChIKey is FBFOVWDDUZDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-12-4-3-5-14(8-12)11-18-16-7-6-13(2)9-15(16)10-17/h3-9,18H,11H2,1-2H3.
What are the key properties of 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile?
5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile has a molecular weight of 236.32 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile is sourced from PubChem (CID 107927097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).