1-[(S)-(methylamino)(phenyl)methyl]naphthalen-2-ol

• ChemBase ID: 802906
• Molecular Formular: C18H17NO
• Molecular Mass: 263.33368
• Monoisotopic Mass: 263.13101417
• SMILES: c1cc2c(cc1)ccc(c2[C@H](c1ccccc1)NC)O
• Canonical SMILES: CN[C@H](c1c(O)ccc2c1cccc2)c1ccccc1
• InChI: InChI=1S/C18H17NO/c1-19-18(14-8-3-2-4-9-14)17-15-10-6-5-7-13(15)11-12-16(17)20/h2-12,18-20H,1H3/t18-/m0/s1
• InChIKey: ZVQHRWAHFINXHH-SFHVURJKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(S)-(methylamino)(phenyl)methyl]naphthalen-2-ol
• IUPAC Traditional name: 1-[(S)-(methylamino)(phenyl)methyl]naphthalen-2-ol
• Synonyms: 1-((S)-(METHYLAMINO)(PHENYL)METHYL)NAPHTHALEN-2-OL

CALCULATED PROPERTIES

• Acid pKa: 7.870098
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9686022
• LogD (pH = 7.4): 2.337147
• Log P: 2.8781672
• Molar Refractivity: 82.0199 cm^3
• Polarizability: 33.384216 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%