2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile

C15H13ClN2O — CID 81299307

IUPAC2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NCc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-19-13-7-6-11(9-17)15(8-13)18-10-12-4-2-3-5-14(12)16/h2-8,18H,10H2,1H3
InChIKeyQSAAMIKUHDOJPE-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.83
Rot. Bonds4

About 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile

2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile (PubChem CID 81299307) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile
PubChem CID81299307
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NCc2ccccc2Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-19-13-7-6-11(9-17)15(8-13)18-10-12-4-2-3-5-14(12)16/h2-8,18H,10H2,1H3
InChIKeyQSAAMIKUHDOJPE-UHFFFAOYSA-N
XLogP3.83
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
CID 114332634
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790
2-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-methoxybenzonitrile
CID 81305001
4-[(2-cyano-5-methoxyanilino)methyl]-3-fluorobenzonitrile
CID 81297290
2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile
CID 28615921
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530
2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
CID 63362795
4-methoxy-2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 81299793
2-[(3-chloro-2-methoxyanilino)methyl]benzonitrile
CID 47077690
N-[(2-chlorophenyl)methyl]-3-methoxyaniline
CID 23795463
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile (CID 81299307) is 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile is COc1ccc(C#N)c(NCc2ccccc2Cl)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile?
The InChIKey is QSAAMIKUHDOJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-19-13-7-6-11(9-17)15(8-13)18-10-12-4-2-3-5-14(12)16/h2-8,18H,10H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile?
2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile has a molecular weight of 272.74 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile is sourced from PubChem (CID 81299307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).