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

• ChemBase ID: 283881
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: C(c1ccccc1)(NC)CCO
• Canonical SMILES: OCCC(c1ccccc1)NC
• InChI: InChI=1S/C10H15NO/c1-11-10(7-8-12)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3
• InChIKey: FDYZMHZQSAYZNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD03412704
• PubChem SID: 180669412
• PubChem CID: 12471542

CALCULATED PROPERTIES

• Acid pKa: 15.912584
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.199272
• LogD (pH = 7.4): -1.0439464
• Log P: 0.96121943
• Molar Refractivity: 50.1339 cm^3
• Polarizability: 19.854757 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 56 - 58°C
• Hydrophobicity(logP): 1.027

Product Information

• Purity: 95%