{4-[methyl(phenyl)amino]phenyl}methanol

• ChemBase ID: 265711
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: N(c1ccc(cc1)CO)(c1ccccc1)C
• Canonical SMILES: OCc1ccc(cc1)N(c1ccccc1)C
• InChI: InChI=1S/C14H15NO/c1-15(13-5-3-2-4-6-13)14-9-7-12(11-16)8-10-14/h2-10,16H,11H2,1H3
• InChIKey: FUQQLHVHXBNHPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {4-[methyl(phenyl)amino]phenyl}methanol
• IUPAC Traditional name: {4-[methyl(phenyl)amino]phenyl}methanol
• Synonyms: {4-[methyl(phenyl)amino]phenyl}methanol

Database IDs

• MDL Number: MFCD10694994
• PubChem SID: 164321621
• PubChem CID: 43121031

CALCULATED PROPERTIES

• Acid pKa: 15.110754
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.869413
• LogD (pH = 7.4): 2.8694968
• Log P: 2.8694978
• Molar Refractivity: 66.2568 cm^3
• Polarizability: 25.38751 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.038

Product Information

• Purity: 95%