4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile

C15H14N2O — CID 60776871

IUPAC4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N2O/c16-9-12-1-3-13(4-2-12)10-17-11-14-5-7-15(18)8-6-14/h1-8,17-18H,10-11H2
InChIKeyZXBNYHWHQLPBEO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.55
Rot. Bonds4

About 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile

4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile (PubChem CID 60776871) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
PubChem CID60776871
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
SMILESN#Cc1ccc(CNCc2ccc(O)cc2)cc1
InChIInChI=1S/C15H14N2O/c16-9-12-1-3-13(4-2-12)10-17-11-14-5-7-15(18)8-6-14/h1-8,17-18H,10-11H2
InChIKeyZXBNYHWHQLPBEO-UHFFFAOYSA-N
XLogP2.55
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile 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

4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
3-fluoro-5-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 114331852
4-hydroxybenzonitrile
CID 53435365
4-[[(4-tert-butylphenyl)methylamino]methyl]benzonitrile
CID 60776869
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851
bis(4-hydroxybenzonitrile);zirconium(2+);dichloride
CID 174392675
4-[[(3-fluoro-2-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 112606585
4-[[1-(4-hydroxyphenyl)propylamino]methyl]benzonitrile
CID 60918427
4-[[(3,4,5-trifluorophenyl)methylamino]methyl]benzonitrile
CID 63052744
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile?
The IUPAC name of 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile (CID 60776871) is 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile.
What is the SMILES notation for 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile?
The canonical SMILES for 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile is N#Cc1ccc(CNCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile?
The InChIKey is ZXBNYHWHQLPBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c16-9-12-1-3-13(4-2-12)10-17-11-14-5-7-15(18)8-6-14/h1-8,17-18H,10-11H2.
What are the key properties of 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile?
4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile is sourced from PubChem (CID 60776871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).