2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile

C15H13ClN2 — CID 107803129

IUPAC2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
SMILESCc1cccc(NCc2cccc(Cl)c2)c1C#N
InChIInChI=1S/C15H13ClN2/c1-11-4-2-7-15(14(11)9-17)18-10-12-5-3-6-13(16)8-12/h2-8,18H,10H2,1H3
InChIKeyIXQMUWGRZJJUSQ-UHFFFAOYSA-N
MW256.74 g/mol
LogP4.13
Rot. Bonds3

About 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile

2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile (PubChem CID 107803129) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
PubChem CID107803129
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile
SMILESCc1cccc(NCc2cccc(Cl)c2)c1C#N
InChIInChI=1S/C15H13ClN2/c1-11-4-2-7-15(14(11)9-17)18-10-12-5-3-6-13(16)8-12/h2-8,18H,10H2,1H3
InChIKeyIXQMUWGRZJJUSQ-UHFFFAOYSA-N
XLogP4.13
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluoro-3-methylphenyl)methylamino]-6-methylbenzonitrile
CID 107803347
2-[[3-(methoxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107803576
2-[(3-cyano-4-fluorophenyl)methylamino]-6-methylbenzonitrile
CID 107880704
2-[(3,4-dihydroxyphenyl)methylamino]-6-methylbenzonitrile
CID 107803407
2-[(3,5-difluorophenyl)methylamino]-6-methylbenzonitrile
CID 107802943
2-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylbenzonitrile
CID 107804618
2-methyl-6-(pyrimidin-5-ylmethylamino)benzonitrile
CID 114002990
2-methyl-6-[(2,4,5-trimethylphenyl)methylamino]benzonitrile
CID 107803442
N-(3-chlorophenyl)-2-(2-cyano-3-methylanilino)acetamide
CID 107804329
2-[(5-chloro-2-nitrophenyl)methylamino]-6-methylbenzonitrile
CID 107804629
2-methyl-6-[(4-nitrophenyl)methylamino]benzonitrile
CID 107803143
2-[(1-ethylpyrrol-3-yl)methylamino]-6-methylbenzonitrile
CID 107803182

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile (CID 107803129) is 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile is Cc1cccc(NCc2cccc(Cl)c2)c1C#N.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile?
The InChIKey is IXQMUWGRZJJUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c1-11-4-2-7-15(14(11)9-17)18-10-12-5-3-6-13(16)8-12/h2-8,18H,10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile?
2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile has a molecular weight of 256.74 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methylamino]-6-methylbenzonitrile is sourced from PubChem (CID 107803129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).