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

• ChemBase ID: 258483
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: N(c1ccc(cc1)CO)(Cc1ccccc1)C
• Canonical SMILES: OCc1ccc(cc1)N(Cc1ccccc1)C
• InChI: InChI=1S/C15H17NO/c1-16(11-13-5-3-2-4-6-13)15-9-7-14(12-17)8-10-15/h2-10,17H,11-12H2,1H3
• InChIKey: DALUATGISVVSPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10691014
• PubChem SID: 164314393
• PubChem CID: 33784682

CALCULATED PROPERTIES

• Acid pKa: 15.144059
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0311892
• LogD (pH = 7.4): 3.0383213
• Log P: 3.038413
• Molar Refractivity: 71.9151 cm^3
• Polarizability: 27.234434 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.037

Product Information

• Purity: 95%