4-(6-methoxypyridin-2-yl)-2-{[(naphthalen-1-ylmethyl)amino]methyl}phenol

• ChemBase ID: 589559
• Molecular Formular: C24H22N2O2
• Molecular Mass: 370.44368
• Monoisotopic Mass: 370.16812795
• SMILES: n1c(c2cc(c(cc2)O)CNCc2c3c(ccc2)cccc3)cccc1OC
• Canonical SMILES: COc1cccc(n1)c1ccc(c(c1)CNCc1cccc2c1cccc2)O
• InChI: InChI=1S/C24H22N2O2/c1-28-24-11-5-10-22(26-24)18-12-13-23(27)20(14-18)16-25-15-19-8-4-7-17-6-2-3-9-21(17)19/h2-14,25,27H,15-16H2,1H3
• InChIKey: HCYAFYZAKXREHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-methoxypyridin-2-yl)-2-{[(naphthalen-1-ylmethyl)amino]methyl}phenol
• IUPAC Traditional name: 4-(6-methoxypyridin-2-yl)-2-{[(naphthalen-1-ylmethyl)amino]methyl}phenol
• Synonyms: 4-(6-methoxy-2-pyridinyl)-2-{[(1-naphthylmethyl)amino]methyl}phenol

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.6937838
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.2304397
• LogD (pH = 7.4): 3.6392524
• Log P: 4.069873
• Molar Refractivity: 111.7337 cm^3
• Polarizability: 45.968475 Å^3
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.39
• LOG S: -4.8
• Polar Surface Area: 54.38 Å^2
• Rotatable Bonds: 5