1-[amino(4-fluorophenyl)methyl]naphthalen-2-ol hydrochloride

• ChemBase ID: 810468
• Molecular Formular: C17H15ClFNO
• Molecular Mass: 303.7585032
• Monoisotopic Mass: 303.08262001
• SMILES: Cl.c1cc2c(cc1)ccc(c2C(c1ccc(cc1)F)N)O
• Canonical SMILES: Fc1ccc(cc1)C(c1c(O)ccc2c1cccc2)N.Cl
• InChI: InChI=1S/C17H14FNO.ClH/c18-13-8-5-12(6-9-13)17(19)16-14-4-2-1-3-11(14)7-10-15(16)20;/h1-10,17,20H,19H2;1H
• InChIKey: QPAFHLBMJVACNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[amino(4-fluorophenyl)methyl]naphthalen-2-ol hydrochloride
• IUPAC Traditional name: 1-[amino(4-fluorophenyl)methyl]naphthalen-2-ol hydrochloride
• Synonyms: 1-[AMINO-(4-FLUORO-PHENYL)-METHYL]-NAPHTHALEN-2-OL HYDROCHLORIDE

CALCULATED PROPERTIES

• Acid pKa: 8.0123005
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.8414429
• LogD (pH = 7.4): 2.157195
• Log P: 2.7791204
• Molar Refractivity: 77.4617 cm^3
• Polarizability: 31.070503 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%