6-{4-[(dimethylamino)methyl]phenyl}naphthalen-2-ol

• ChemBase ID: 499765
• Molecular Formular: C19H19NO
• Molecular Mass: 277.36026
• Monoisotopic Mass: 277.14666423
• SMILES: c1(cc2c(cc(cc2)O)cc1)c1ccc(CN(C)C)cc1
• Canonical SMILES: CN(Cc1ccc(cc1)c1ccc2c(c1)ccc(c2)O)C
• InChI: InChI=1S/C19H19NO/c1-20(2)13-14-3-5-15(6-4-14)16-7-8-18-12-19(21)10-9-17(18)11-16/h3-12,21H,13H2,1-2H3
• InChIKey: HAUIBUCZPBEPEL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{4-[(dimethylamino)methyl]phenyl}naphthalen-2-ol
• IUPAC Traditional name: 6-{4-[(dimethylamino)methyl]phenyl}naphthalen-2-ol
• Synonyms: 6-{4-[(dimethylamino)methyl]phenyl}-2-naphthol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.833915
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.1114457
• LogD (pH = 7.4): 2.7548587
• Log P: 3.9374363
• Molar Refractivity: 88.168 cm^3
• Polarizability: 36.69408 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.37
• LOG S: -3.37
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3