(2-amino-5-methylphenyl)(phenyl)methanol

• ChemBase ID: 10997
• Molecular Formular: C14H15NO
• Molecular Mass: 213.275
• Monoisotopic Mass: 213.11536411
• SMILES: c1(C(c2ccccc2)O)cc(ccc1N)C
• Canonical SMILES: Cc1ccc(c(c1)C(c1ccccc1)O)N
• InChI: InChI=1S/C14H15NO/c1-10-7-8-13(15)12(9-10)14(16)11-5-3-2-4-6-11/h2-9,14,16H,15H2,1H3
• InChIKey: RFGHBTFPMINONZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-5-methylphenyl)(phenyl)methanol
• IUPAC Traditional name: (2-amino-5-methylphenyl)(phenyl)methanol
• Synonyms: (2-Amino-5-methylphenyl)phenylmethanol

Database IDs

• CAS Number: 156261-32-4
• MDL Number: MFCD00447496
• PubChem SID: 160974304
• PubChem CID: 2861941

CALCULATED PROPERTIES

• Acid pKa: 13.740538
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.6663198
• LogD (pH = 7.4): 2.6745257
• Log P: 2.6746316
• Molar Refractivity: 66.8983 cm^3
• Polarizability: 25.305073 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false