3-(3-aminophenyl)-1-phenylpropan-1-ol

• ChemBase ID: 269006
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: C(CCc1cc(N)ccc1)(c1ccccc1)O
• Canonical SMILES: Nc1cccc(c1)CCC(c1ccccc1)O
• InChI: InChI=1S/C15H17NO/c16-14-8-4-5-12(11-14)9-10-15(17)13-6-2-1-3-7-13/h1-8,11,15,17H,9-10,16H2
• InChIKey: UVHBKKGZWQTGLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-aminophenyl)-1-phenylpropan-1-ol
• IUPAC Traditional name: 3-(3-aminophenyl)-1-phenylpropan-1-ol
• Synonyms: 3-(3-aminophenyl)-1-phenylpropan-1-ol

Database IDs

• MDL Number: MFCD16817467
• PubChem SID: 164324916
• PubChem CID: 12932006

CALCULATED PROPERTIES

• Acid pKa: 14.473536
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8441422
• LogD (pH = 7.4): 2.8937688
• Log P: 2.8944402
• Molar Refractivity: 71.2131 cm^3
• Polarizability: 27.159437 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.133

Product Information

• Purity: 95%