1-amino-2,3-diphenylpropan-2-ol

• ChemBase ID: 284748
• Molecular Formular: C15H17NO
• Molecular Mass: 227.30158
• Monoisotopic Mass: 227.13101417
• SMILES: C(Cc1ccccc1)(c1ccccc1)(O)CN
• Canonical SMILES: NCC(c1ccccc1)(Cc1ccccc1)O
• InChI: InChI=1S/C15H17NO/c16-12-15(17,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,17H,11-12,16H2
• InChIKey: SWLPAKNOXOHUIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2,3-diphenylpropan-2-ol
• IUPAC Traditional name: 1-amino-2,3-diphenylpropan-2-ol
• Synonyms: 1-amino-2,3-diphenylpropan-2-ol

Database IDs

• MDL Number: MFCD17387781
• PubChem SID: 180670279
• PubChem CID: 56823265

CALCULATED PROPERTIES

• Molar Refractivity: 69.7511 cm^3
• Polarizability: 27.559164 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 13.611112
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.53617615
• LogD (pH = 7.4): 0.65769595
• Log P: 2.4055824

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.242

Product Information

• Purity: 95%