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

• ChemBase ID: 275927
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: C(C(O)(CN)C)(c1ccccc1)c1ccccc1
• Canonical SMILES: NCC(C(c1ccccc1)c1ccccc1)(O)C
• InChI: InChI=1S/C16H19NO/c1-16(18,12-17)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15,18H,12,17H2,1H3
• InChIKey: WEGIMRRECBCCBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11979513
• PubChem SID: 164331837
• PubChem CID: 43381720

CALCULATED PROPERTIES

• Acid pKa: 14.233873
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.4489357
• LogD (pH = 7.4): 0.5079682
• Log P: 2.536694
• Molar Refractivity: 74.4537 cm^3
• Polarizability: 29.407495 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.419

Product Information

• Purity: 95%