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

• ChemBase ID: 398920
• Molecular Formular: C17H22N2O
• Molecular Mass: 270.36938
• Monoisotopic Mass: 270.17321333
• SMILES: n1c(CN(Cc2ccc(cc2)C)CCOC)cccc1
• Canonical SMILES: COCCN(Cc1ccccn1)Cc1ccc(cc1)C
• InChI: InChI=1S/C17H22N2O/c1-15-6-8-16(9-7-15)13-19(11-12-20-2)14-17-5-3-4-10-18-17/h3-10H,11-14H2,1-2H3
• InChIKey: VMMGMDOOUJRPOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3391665
• LogD (pH = 7.4): 2.7840238
• Log P: 2.969361
• Molar Refractivity: 82.6189 cm^3
• Polarizability: 32.241642 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: 2.8
• LOG S: -1.26
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7