[3-(2,5-dimethoxyphenyl)propyl](methyl)amine

• ChemBase ID: 808781
• Molecular Formular: C12H19NO2
• Molecular Mass: 209.28476
• Monoisotopic Mass: 209.14157885
• SMILES: N(C)CCCc1c(ccc(c1)OC)OC
• Canonical SMILES: CNCCCc1cc(OC)ccc1OC
• InChI: InChI=1S/C12H19NO2/c1-13-8-4-5-10-9-11(14-2)6-7-12(10)15-3/h6-7,9,13H,4-5,8H2,1-3H3
• InChIKey: OVGRDRSTVRKQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [3-(2,5-dimethoxyphenyl)propyl](methyl)amine
• IUPAC Traditional name: [3-(2,5-dimethoxyphenyl)propyl](methyl)amine
• Synonyms: [3-(2,5-DIMETHOXY-PHENYL)-PROPYL]-METHYL-AMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2780006
• LogD (pH = 7.4): -0.7243292
• Log P: 1.949482
• Molar Refractivity: 61.5884 cm^3
• Polarizability: 24.180483 Å^3
• Polar Surface Area: 30.49 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%