[(2-ethoxyphenyl)methyl](ethyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 538039
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: c1(CN(Cc2cnccc2)CC)c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1CN(Cc1cccnc1)CC
• InChI: InChI=1S/C17H22N2O/c1-3-19(13-15-8-7-11-18-12-15)14-16-9-5-6-10-17(16)20-4-2/h5-12H,3-4,13-14H2,1-2H3
• InChIKey: FJFWOCWKVUVQEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethoxyphenyl)methyl](ethyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: [(2-ethoxyphenyl)methyl](ethyl)(pyridin-3-ylmethyl)amine
• Synonyms: (2-ethoxybenzyl)ethyl(pyridin-3-ylmethyl)amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 3.22
• LOG S: -1.62

JChem

• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8229916
• LogD (pH = 7.4): 2.520313
• Log P: 2.977388
• Molar Refractivity: 83.0168 cm^3
• Polarizability: 32.303314 Å^3
• Polar Surface Area: 25.36 Å^2