dimethyl({[2-(3,4,5-trimethoxyphenoxy)phenyl]methyl})amine

• ChemBase ID: 691630
• Molecular Formular: C18H23NO4
• Molecular Mass: 317.37952
• Monoisotopic Mass: 317.16270822
• SMILES: c1(c(cc(cc1OC)Oc1c(CN(C)C)cccc1)OC)OC
• Canonical SMILES: COc1cc(Oc2ccccc2CN(C)C)cc(c1OC)OC
• InChI: InChI=1S/C18H23NO4/c1-19(2)12-13-8-6-7-9-15(13)23-14-10-16(20-3)18(22-5)17(11-14)21-4/h6-11H,12H2,1-5H3
• InChIKey: OFWFWHDLYRDXPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({[2-(3,4,5-trimethoxyphenoxy)phenyl]methyl})amine
• IUPAC Traditional name: dimethyl({[2-(3,4,5-trimethoxyphenoxy)phenyl]methyl})amine
• Synonyms: N,N-dimethyl-1-[2-(3,4,5-trimethoxyphenoxy)phenyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.26215786
• LogD (pH = 7.4): 2.0356479
• Log P: 2.941916
• Molar Refractivity: 90.2311 cm^3
• Polarizability: 35.2565 Å^3
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.51
• LOG S: -1.8
• Polar Surface Area: 40.16 Å^2
• Rotatable Bonds: 7