2-{[(2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amino]methyl}-6-methylpyridin-3-ol

• ChemBase ID: 591564
• Molecular Formular: C19H24N2O2
• Molecular Mass: 312.40606
• Monoisotopic Mass: 312.18377802
• SMILES: c1(nc(ccc1O)C)CN(C/C=C/c1ccccc1)CCOC
• Canonical SMILES: COCCN(Cc1nc(C)ccc1O)C/C=C/c1ccccc1
• InChI: InChI=1S/C19H24N2O2/c1-16-10-11-19(22)18(20-16)15-21(13-14-23-2)12-6-9-17-7-4-3-5-8-17/h3-11,22H,12-15H2,1-2H3/b9-6+
• InChIKey: NCSMYRWSUHKQKN-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amino]methyl}-6-methylpyridin-3-ol
• IUPAC Traditional name: 2-{[(2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amino]methyl}-6-methylpyridin-3-ol
• Synonyms: 2-({(2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amino}methyl)-6-methylpyridin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.371477
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1341859
• LogD (pH = 7.4): 2.6169348
• Log P: 2.6693146
• Molar Refractivity: 94.4687 cm^3
• Polarizability: 36.350224 Å^3
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.69
• LOG S: -3.62
• Polar Surface Area: 45.59 Å^2
• Rotatable Bonds: 8