[(5-ethylpyridin-2-yl)methyl](2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amine

• ChemBase ID: 565694
• Molecular Formular: C20H26N2O
• Molecular Mass: 310.43324
• Monoisotopic Mass: 310.20451346
• SMILES: n1c(CN(C/C=C/c2ccccc2)CCOC)ccc(c1)CC
• Canonical SMILES: COCCN(Cc1ccc(cn1)CC)C/C=C/c1ccccc1
• InChI: InChI=1S/C20H26N2O/c1-3-18-11-12-20(21-16-18)17-22(14-15-23-2)13-7-10-19-8-5-4-6-9-19/h4-12,16H,3,13-15,17H2,1-2H3/b10-7+
• InChIKey: MSBNTWVXQQPCJA-JXMROGBWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-ethylpyridin-2-yl)methyl](2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amine
• IUPAC Traditional name: [(5-ethylpyridin-2-yl)methyl](2-methoxyethyl)[(2E)-3-phenylprop-2-en-1-yl]amine
• Synonyms: (2E)-N-[(5-ethylpyridin-2-yl)methyl]-N-(2-methoxyethyl)-3-phenylprop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.569556
• LogD (pH = 7.4): 3.8934975
• Log P: 4.023845
• Molar Refractivity: 97.5385 cm^3
• Polarizability: 37.62523 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.98
• LOG S: -2.56
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 9