[(2-methoxyphenyl)methyl][(6-methylpyridin-2-yl)methyl](prop-2-en-1-yl)amine

• ChemBase ID: 400710
• Molecular Formular: C18H22N2O
• Molecular Mass: 282.38008
• Monoisotopic Mass: 282.17321333
• SMILES: c1(CN(Cc2nc(ccc2)C)CC=C)c(OC)cccc1
• Canonical SMILES: C=CCN(Cc1ccccc1OC)Cc1cccc(n1)C
• InChI: InChI=1S/C18H22N2O/c1-4-12-20(14-17-10-7-8-15(2)19-17)13-16-9-5-6-11-18(16)21-3/h4-11H,1,12-14H2,2-3H3
• InChIKey: IDADIKIVJIJSEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-methoxyphenyl)methyl][(6-methylpyridin-2-yl)methyl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(2-methoxyphenyl)methyl][(6-methylpyridin-2-yl)methyl]prop-2-en-1-ylamine
• Synonyms: N-(2-methoxybenzyl)-N-[(6-methylpyridin-2-yl)methyl]prop-2-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.3480775
• LogD (pH = 7.4): 3.1749094
• Log P: 3.2078638
• Molar Refractivity: 86.7516 cm^3
• Polarizability: 33.83687 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.44
• LOG S: -1.89
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7