2-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]phenol

• ChemBase ID: 120437
• Molecular Formular: C15H16N2O
• Molecular Mass: 240.30034
• Monoisotopic Mass: 240.12626314
• SMILES: N(=C\c1ccc(N(C)C)cc1)/c1c(O)cccc1
• Canonical SMILES: Oc1ccccc1/N=C/c1ccc(cc1)N(C)C
• InChI: InChI=1S/C15H16N2O/c1-17(2)13-9-7-12(8-10-13)11-16-14-5-3-4-6-15(14)18/h3-11,18H,1-2H3/b16-11+
• InChIKey: GJZBNSJPZKCNPU-LFIBNONCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]phenol
• IUPAC Traditional name: 2-[(E)-{[4-(dimethylamino)phenyl]methylidene}amino]phenol
• Synonyms: (E)-2-((4-(dimethylamino)benzylidene)amino)phenol

Database IDs

• PubChem SID: 162214790
• PubChem CID: 270038

CALCULATED PROPERTIES

• Molar Refractivity: 77.7971 cm^3
• Polarizability: 27.905186 Å^3
• Polar Surface Area: 35.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 8.278364
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.627423
• LogD (pH = 7.4): 3.598113
• Log P: 3.6519852