4-[(4-hydroxyanilino)methyl]benzonitrile

C14H12N2O — CID 43742708

IUPAC4-[(4-hydroxyanilino)methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccc(O)cc2)cc1
InChIInChI=1S/C14H12N2O/c15-9-11-1-3-12(4-2-11)10-16-13-5-7-14(17)8-6-13/h1-8,16-17H,10H2
InChIKeyVQPLCCULPAUVRG-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.88
Rot. Bonds3

About 4-[(4-hydroxyanilino)methyl]benzonitrile

4-[(4-hydroxyanilino)methyl]benzonitrile (PubChem CID 43742708) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(4-hydroxyanilino)methyl]benzonitrile.

Molecular Properties

Compound Name4-[(4-hydroxyanilino)methyl]benzonitrile
PubChem CID43742708
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name4-[(4-hydroxyanilino)methyl]benzonitrile
SMILESN#Cc1ccc(CNc2ccc(O)cc2)cc1
InChIInChI=1S/C14H12N2O/c15-9-11-1-3-12(4-2-11)10-16-13-5-7-14(17)8-6-13/h1-8,16-17H,10H2
InChIKeyVQPLCCULPAUVRG-UHFFFAOYSA-N
XLogP2.88
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[[(4-hydroxyphenyl)methylamino]methyl]benzonitrile
CID 60776871
4-[(4-fluorophenyl)methylamino]benzonitrile
CID 22353725
4-(anilinomethyl)benzonitrile
CID 11148468
methyl 4-[(4-cyanophenyl)methylamino]benzoate
CID 43087792
4-hydroxybenzonitrile
CID 53435365
4-(benzylamino)phenol;hydrochloride
CID 16738613
4-(1H-pyrrol-3-ylmethylamino)benzonitrile
CID 66407609
4-[(4-ethoxyanilino)methyl]phenol
CID 3271066
4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]benzonitrile
CID 60965226
4-[(4-amino-3-methylanilino)methyl]benzonitrile
CID 62268769
4-[[4-(1,3,4-oxadiazol-2-yl)anilino]methyl]benzonitrile
CID 28713347
N-[(4-cyanophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 110483851

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyanilino)methyl]benzonitrile?
The IUPAC name of 4-[(4-hydroxyanilino)methyl]benzonitrile (CID 43742708) is 4-[(4-hydroxyanilino)methyl]benzonitrile.
What is the SMILES notation for 4-[(4-hydroxyanilino)methyl]benzonitrile?
The canonical SMILES for 4-[(4-hydroxyanilino)methyl]benzonitrile is N#Cc1ccc(CNc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyanilino)methyl]benzonitrile?
The InChIKey is VQPLCCULPAUVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-9-11-1-3-12(4-2-11)10-16-13-5-7-14(17)8-6-13/h1-8,16-17H,10H2.
What are the key properties of 4-[(4-hydroxyanilino)methyl]benzonitrile?
4-[(4-hydroxyanilino)methyl]benzonitrile has a molecular weight of 224.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyanilino)methyl]benzonitrile is sourced from PubChem (CID 43742708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).