2-(methylamino)-3-phenylpropan-1-ol

• ChemBase ID: 269795
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: N(C(Cc1ccccc1)CO)C
• Canonical SMILES: OCC(Cc1ccccc1)NC
• InChI: InChI=1S/C10H15NO/c1-11-10(8-12)7-9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
• InChIKey: FJOOJFXCKIPSLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-3-phenylpropan-1-ol
• IUPAC Traditional name: 2-(methylamino)-3-phenylpropan-1-ol
• Synonyms: 2-(methylamino)-3-phenylpropan-1-ol

Database IDs

• MDL Number: MFCD00136853
• PubChem SID: 164325705
• PubChem CID: 13094590

CALCULATED PROPERTIES

• Acid pKa: 15.109674
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9962406
• LogD (pH = 7.4): -0.9788909
• Log P: 1.1899209
• Molar Refractivity: 50.0235 cm^3
• Polarizability: 19.778168 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 0.886

Product Information

• Purity: 95%