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

C15H14N2O2 — CID 114332634

IUPAC2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NCc2ccccc2O)c1
InChIInChI=1S/C15H14N2O2/c1-19-13-7-6-11(9-16)14(8-13)17-10-12-4-2-3-5-15(12)18/h2-8,17-18H,10H2,1H3
InChIKeyRZHKGYCJCFPIGW-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.88
Rot. Bonds4

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

2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile (PubChem CID 114332634) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
PubChem CID114332634
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile
SMILESCOc1ccc(C#N)c(NCc2ccccc2O)c1
InChIInChI=1S/C15H14N2O2/c1-19-13-7-6-11(9-16)14(8-13)17-10-12-4-2-3-5-15(12)18/h2-8,17-18H,10H2,1H3
InChIKeyRZHKGYCJCFPIGW-UHFFFAOYSA-N
XLogP2.88
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chlorophenyl)methylamino]-4-methoxybenzonitrile
CID 81299307
2-[(2-hydroxy-5-methoxyphenyl)methylamino]benzonitrile
CID 28615921
4-chloro-2-[(2-hydroxyphenyl)methylamino]benzonitrile
CID 43681545
2-(ethylamino)-4-methoxybenzonitrile
CID 14388672
2-[(2,5-difluorophenyl)methylamino]-4-methoxybenzonitrile
CID 81306790
4-[(2-cyano-5-methoxyanilino)methyl]-3-fluorobenzonitrile
CID 81297290
2-[(2-hydroxy-2-methylpropyl)amino]-4-methoxybenzonitrile
CID 81303362
2-[[4-(aminomethyl)phenyl]methylamino]-4-methoxybenzonitrile
CID 81304530
2-[(2,4-dimethoxyphenyl)methylamino]-4-methylbenzonitrile
CID 63362795
2-[(5-amino-1H-pyrazol-4-yl)methylamino]-4-methoxybenzonitrile
CID 81305001
4-methoxy-2-[(5-methylthiophen-2-yl)methylamino]benzonitrile
CID 81299793
4-methoxy-2-(2-methoxyethylamino)benzonitrile
CID 81298922

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile?
The IUPAC name of 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile (CID 114332634) is 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile is COc1ccc(C#N)c(NCc2ccccc2O)c1.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile?
The InChIKey is RZHKGYCJCFPIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-13-7-6-11(9-16)14(8-13)17-10-12-4-2-3-5-15(12)18/h2-8,17-18H,10H2,1H3.
What are the key properties of 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile?
2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylamino]-4-methoxybenzonitrile is sourced from PubChem (CID 114332634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).