(2R)-1-(methylamino)-2-phenylpropan-2-ol hydrochloride

• ChemBase ID: 182732
• Molecular Formular: C10H16ClNO
• Molecular Mass: 201.69314
• Monoisotopic Mass: 201.09204182
• SMILES: [C@@](c1ccccc1)(O)(CNC)C.Cl
• Canonical SMILES: CNC[C@@](c1ccccc1)(O)C.Cl
• InChI: InChI=1S/C10H15NO.ClH/c1-10(12,8-11-2)9-6-4-3-5-7-9;/h3-7,11-12H,8H2,1-2H3;1H/t10-;/m0./s1
• InChIKey: MUCDVGXAHUONDE-PPHPATTJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-(methylamino)-2-phenylpropan-2-ol hydrochloride
• IUPAC Traditional name: (2R)-1-(methylamino)-2-phenylpropan-2-ol hydrochloride

Database IDs

• PubChem SID: 164238642
• PubChem CID: 52993266

CALCULATED PROPERTIES

• Acid pKa: 13.959126
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0017738
• LogD (pH = 7.4): -0.9681084
• Log P: 1.1818364
• Molar Refractivity: 49.9067 cm^3
• Polarizability: 19.852322 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds