(2-methoxyethyl)[(4-methylphenyl)methyl](quinoxalin-2-ylmethyl)amine

• ChemBase ID: 615738
• Molecular Formular: C20H23N3O
• Molecular Mass: 321.41612
• Monoisotopic Mass: 321.18411237
• SMILES: n1c(cnc2c1cccc2)CN(Cc1ccc(cc1)C)CCOC
• Canonical SMILES: COCCN(Cc1cnc2c(n1)cccc2)Cc1ccc(cc1)C
• InChI: InChI=1S/C20H23N3O/c1-16-7-9-17(10-8-16)14-23(11-12-24-2)15-18-13-21-19-5-3-4-6-20(19)22-18/h3-10,13H,11-12,14-15H2,1-2H3
• InChIKey: JPNYALMREYTASI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(4-methylphenyl)methyl](quinoxalin-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)[(4-methylphenyl)methyl](quinoxalin-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)(4-methylbenzyl)(quinoxalin-2-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9654219
• LogD (pH = 7.4): 3.3556733
• Log P: 3.512866
• Molar Refractivity: 96.1682 cm^3
• Polarizability: 38.90816 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.44
• LOG S: -3.47
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 7