(1R)-1-[3-(2,6-dimethoxyphenyl)phenyl]ethan-1-amine

• ChemBase ID: 840914
• Molecular Formular: C16H19NO2
• Molecular Mass: 257.32756
• Monoisotopic Mass: 257.14157885
• SMILES: c1(c2c(OC)cccc2OC)cc([C@H](N)C)ccc1
• Canonical SMILES: COc1cccc(c1c1cccc(c1)[C@H](N)C)OC
• InChI: InChI=1S/C16H19NO2/c1-11(17)12-6-4-7-13(10-12)16-14(18-2)8-5-9-15(16)19-3/h4-11H,17H2,1-3H3/t11-/m1/s1
• InChIKey: HAZLKTUGLMUVHD-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[3-(2,6-dimethoxyphenyl)phenyl]ethan-1-amine
• IUPAC Traditional name: (1R)-1-[3-(2,6-dimethoxyphenyl)phenyl]ethanamine
• Synonyms: (1R)-1-(2',6'-dimethoxybiphenyl-3-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1526027
• LogD (pH = 7.4): 0.67429864
• Log P: 2.8474722
• Molar Refractivity: 77.0128 cm^3
• Polarizability: 31.592476 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.4
• LOG S: -2.12
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 4