2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile

C16H15ClN2 — CID 78997573

IUPAC2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile
SMILESCc1cccc(C)c1CNc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-11-4-3-5-12(2)15(11)10-19-14-7-6-13(9-18)16(17)8-14/h3-8,19H,10H2,1-2H3
InChIKeyOZJYHJSUMZCFHP-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.44
Rot. Bonds3

About 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile

2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile (PubChem CID 78997573) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile
PubChem CID78997573
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile
SMILESCc1cccc(C)c1CNc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C16H15ClN2/c1-11-4-3-5-12(2)15(11)10-19-14-7-6-13(9-18)16(17)8-14/h3-8,19H,10H2,1-2H3
InChIKeyOZJYHJSUMZCFHP-UHFFFAOYSA-N
XLogP4.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-chloro-4-[(2-chloro-6-nitrophenyl)methylamino]benzonitrile
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2-chloro-4-[(3-chloro-2-fluorophenyl)methylamino]benzonitrile
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2-chloro-4-[(5-methyl-3-pyridinyl)methylamino]benzonitrile
CID 113341163
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzonitrile
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2-chloro-4-[(5-methyl-1H-imidazol-4-yl)methylamino]benzonitrile
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2-chloro-4-(pyridazin-3-ylmethylamino)benzonitrile
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5-[(3-chloro-4-cyanoanilino)methyl]-2-methoxybenzonitrile
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2-chloro-4-[(1-methylpyrazol-3-yl)methylamino]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile?
The IUPAC name of 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile (CID 78997573) is 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile.
What is the SMILES notation for 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile?
The canonical SMILES for 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile is Cc1cccc(C)c1CNc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile?
The InChIKey is OZJYHJSUMZCFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-11-4-3-5-12(2)15(11)10-19-14-7-6-13(9-18)16(17)8-14/h3-8,19H,10H2,1-2H3.
What are the key properties of 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile?
2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile has a molecular weight of 270.76 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,6-dimethylphenyl)methylamino]benzonitrile is sourced from PubChem (CID 78997573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).