6-({[2-(1-hydroxycyclopentyl)ethyl](methyl)amino}methyl)naphthalen-2-ol

• ChemBase ID: 863515
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: c12c(cc(cc2)O)ccc(c1)CN(CCC1(O)CCCC1)C
• Canonical SMILES: CN(Cc1ccc2c(c1)ccc(c2)O)CCC1(O)CCCC1
• InChI: InChI=1S/C19H25NO2/c1-20(11-10-19(22)8-2-3-9-19)14-15-4-5-17-13-18(21)7-6-16(17)12-15/h4-7,12-13,21-22H,2-3,8-11,14H2,1H3
• InChIKey: RAWWHWLECLYLRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-({[2-(1-hydroxycyclopentyl)ethyl](methyl)amino}methyl)naphthalen-2-ol
• IUPAC Traditional name: 6-({[2-(1-hydroxycyclopentyl)ethyl](methyl)amino}methyl)naphthalen-2-ol
• Synonyms: 6-{[[2-(1-hydroxycyclopentyl)ethyl](methyl)amino]methyl}-2-naphthol

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.865996
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.009012042
• LogD (pH = 7.4): 1.5606855
• Log P: 2.8380082
• Molar Refractivity: 90.4923 cm^3
• Polarizability: 36.480648 Å^3
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.33
• LOG S: -2.64
• Polar Surface Area: 43.7 Å^2
• Rotatable Bonds: 5