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

• ChemBase ID: 291237
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: OC[C@@H](NC)Cc1ccccc1
• Canonical SMILES: OC[C@H](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/t10-/m0/s1
• InChIKey: FJOOJFXCKIPSLU-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 84773-29-5
• PubChem SID: 180676768
• PubChem CID: 10888274

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

Product Information

• Purity: 95+%