(3-aminophenyl)(4-methoxyphenyl)methanol

• ChemBase ID: 31082
• Molecular Formular: C14H15NO2
• Molecular Mass: 229.2744
• Monoisotopic Mass: 229.11027873
• SMILES: c1(C(c2ccc(cc2)OC)O)cc(N)ccc1
• Canonical SMILES: COc1ccc(cc1)C(c1cccc(c1)N)O
• InChI: InChI=1S/C14H15NO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9,14,16H,15H2,1H3
• InChIKey: KRCULPGAHLEVKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminophenyl)(4-methoxyphenyl)methanol
• IUPAC Traditional name: (3-aminophenyl)(4-methoxyphenyl)methanol
• Synonyms: (3-aminophenyl)(4-methoxyphenyl)methanol; (3-Amino-phenyl)-(4-methoxy-phenyl)-methanol

Database IDs

• MDL Number: MFCD09035575
• PubChem SID: 160994389
• PubChem CID: 23009100

CALCULATED PROPERTIES

• Acid pKa: 13.820632
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.9905218
• LogD (pH = 7.4): 2.0033724
• Log P: 2.003539
• Molar Refractivity: 68.3203 cm^3
• Polarizability: 26.033676 Å^3
• Polar Surface Area: 55.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Classification: Derivatives & analogs of Natural Compounds