{2-[2-(2,3-dimethoxy-5-methylphenyl)phenoxy]ethyl}dimethylamine

• ChemBase ID: 537677
• Molecular Formular: C19H25NO3
• Molecular Mass: 315.4067
• Monoisotopic Mass: 315.18344367
• SMILES: c1(c(c(cc(c1)C)OC)OC)c1c(OCCN(C)C)cccc1
• Canonical SMILES: COc1c(OC)cc(cc1c1ccccc1OCCN(C)C)C
• InChI: InChI=1S/C19H25NO3/c1-14-12-16(19(22-5)18(13-14)21-4)15-8-6-7-9-17(15)23-11-10-20(2)3/h6-9,12-13H,10-11H2,1-5H3
• InChIKey: ZYAOWXLDNRUGJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[2-(2,3-dimethoxy-5-methylphenyl)phenoxy]ethyl}dimethylamine
• IUPAC Traditional name: {2-[2-(2,3-dimethoxy-5-methylphenyl)phenoxy]ethyl}dimethylamine
• Synonyms: 2-[(2',3'-dimethoxy-5'-methylbiphenyl-2-yl)oxy]-N,N-dimethylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.6307479
• LogD (pH = 7.4): 2.3256903
• Log P: 3.6795232
• Molar Refractivity: 93.6441 cm^3
• Polarizability: 37.689236 Å^3
• Polar Surface Area: 30.93 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: 3.3
• LOG S: -3.31
• Polar Surface Area: 30.93 Å^2
• Rotatable Bonds: 7