4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile

C17H18N2 — CID 62313204

IUPAC4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
SMILESCc1cccc(CCNc2cc(C)ccc2C#N)c1
InChIInChI=1S/C17H18N2/c1-13-4-3-5-15(10-13)8-9-19-17-11-14(2)6-7-16(17)12-18/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyXKNYWKZVLLTSLP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.83
Rot. Bonds4

About 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile

4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile (PubChem CID 62313204) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile.

Molecular Properties

Compound Name4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
PubChem CID62313204
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC Name4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile
SMILESCc1cccc(CCNc2cc(C)ccc2C#N)c1
InChIInChI=1S/C17H18N2/c1-13-4-3-5-15(10-13)8-9-19-17-11-14(2)6-7-16(17)12-18/h3-7,10-11,19H,8-9H2,1-2H3
InChIKeyXKNYWKZVLLTSLP-UHFFFAOYSA-N
XLogP3.83
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-cyano-3-[2-(3-methylphenyl)ethylamino]benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid
CID 67076798
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5-methyl-2-[(3-methylphenyl)methylamino]benzonitrile
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4-methyl-2-(prop-2-ynylamino)benzonitrile
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4-methyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile
CID 114183794
2-[2-[ethyl(methyl)amino]ethylamino]-4-methylbenzonitrile
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2-[2-(2-hydroxyethoxy)ethylamino]-4-methylbenzonitrile
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2-(3-ethylanilino)-4-methylbenzonitrile
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2-(2,2-dimethylbutylamino)-4-methylbenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile?
The IUPAC name of 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile (CID 62313204) is 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile.
What is the SMILES notation for 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile?
The canonical SMILES for 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile is Cc1cccc(CCNc2cc(C)ccc2C#N)c1.
What is the InChIKey of 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile?
The InChIKey is XKNYWKZVLLTSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-13-4-3-5-15(10-13)8-9-19-17-11-14(2)6-7-16(17)12-18/h3-7,10-11,19H,8-9H2,1-2H3.
What are the key properties of 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile?
4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile has a molecular weight of 250.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(3-methylphenyl)ethylamino]benzonitrile is sourced from PubChem (CID 62313204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).