(1S,2S)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol

• ChemBase ID: 129094
• Molecular Formular: C20H21NO
• Molecular Mass: 291.38684
• Monoisotopic Mass: 291.1623143
• SMILES: CNC[C@H](c1cc2ccccc2cc1)[C@@H](c1ccccc1)O
• Canonical SMILES: CNC[C@@H]([C@@H](c1ccccc1)O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1
• InChIKey: RSZGIFQDUIROGN-WOJBJXKFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S,2S)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
• IUPAC Traditional name: (1S,2S)-3-(methylamino)-2-(naphthalen-2-yl)-1-phenylpropan-1-ol
• Synonyms: PRC200

Database IDs

• PubChem SID: 162223393
• PubChem CID: 20631904
• Wikipedia Title: PRC200

CALCULATED PROPERTIES

• Acid pKa: 14.076746
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.36526954
• LogD (pH = 7.4): 1.2913253
• Log P: 3.5638237
• Molar Refractivity: 91.0955 cm^3
• Polarizability: 37.010223 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true