2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile

C15H13ClN2O — CID 107467002

IUPAC2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-19-14-7-3-5-12(9-17)15(14)18-10-11-4-2-6-13(16)8-11/h2-8,18H,10H2,1H3
InChIKeyNQOYCTAPVGSISZ-UHFFFAOYSA-N
MW272.74 g/mol
LogP3.83
Rot. Bonds4

About 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile

2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile (PubChem CID 107467002) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
PubChem CID107467002
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cccc(C#N)c1NCc1cccc(Cl)c1
InChIInChI=1S/C15H13ClN2O/c1-19-14-7-3-5-12(9-17)15(14)18-10-11-4-2-6-13(16)8-11/h2-8,18H,10H2,1H3
InChIKeyNQOYCTAPVGSISZ-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

3-methoxy-2-[[3-(methoxymethyl)phenyl]methylamino]benzonitrile
CID 107467080
2-[(3-chloro-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466784
2-[(3,4-difluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466691
2-[(4-fluoro-3-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 107466922
2-[(3-hydroxy-4-methoxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107467113
2-(3-chlorophenyl)-N-(2-cyano-6-methoxyphenyl)acetamide
CID 107468148
2-[(3,5-dibromo-4-hydroxyphenyl)methylamino]-3-methoxybenzonitrile
CID 107741174
2-[(2,3-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 107466891
2-(1H-indol-6-ylmethylamino)-3-methoxybenzonitrile
CID 107466650
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
2-[(2-bromo-4-fluorophenyl)methylamino]-3-methoxybenzonitrile
CID 107467448
2-(but-2-ynylamino)-3-methoxybenzonitrile
CID 107467432

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile?
The IUPAC name of 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile (CID 107467002) is 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile?
The canonical SMILES for 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile is COc1cccc(C#N)c1NCc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile?
The InChIKey is NQOYCTAPVGSISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-19-14-7-3-5-12(9-17)15(14)18-10-11-4-2-6-13(16)8-11/h2-8,18H,10H2,1H3.
What are the key properties of 2-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile?
2-[(3-chlorophenyl)methylamino]-3-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-[(3-chlorophenyl)methylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 107467002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).