6-({methyl[(1-methylpyrrolidin-3-yl)methyl]amino}methyl)naphthalen-2-ol

• ChemBase ID: 370835
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: N1(CC(CN(Cc2cc3c(cc(cc3)O)cc2)C)CC1)C
• Canonical SMILES: CN(Cc1ccc2c(c1)ccc(c2)O)CC1CCN(C1)C
• InChI: InChI=1S/C18H24N2O/c1-19-8-7-15(12-19)13-20(2)11-14-3-4-17-10-18(21)6-5-16(17)9-14/h3-6,9-10,15,21H,7-8,11-13H2,1-2H3
• InChIKey: XJGNMFGKNHOWGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-({methyl[(1-methylpyrrolidin-3-yl)methyl]amino}methyl)naphthalen-2-ol
• IUPAC Traditional name: 6-({methyl[(1-methylpyrrolidin-3-yl)methyl]amino}methyl)naphthalen-2-ol
• Synonyms: 6-({methyl[(1-methylpyrrolidin-3-yl)methyl]amino}methyl)-2-naphthol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.259936
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9181478
• LogD (pH = 7.4): -0.34793246
• Log P: 1.9538815
• Molar Refractivity: 88.6011 cm^3
• Polarizability: 35.586937 Å^3
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.74
• LOG S: -2.03
• Polar Surface Area: 26.71 Å^2
• Rotatable Bonds: 4