methyl[3-(2,4,5-trimethoxyphenyl)propyl]amine

• ChemBase ID: 808784
• Molecular Formular: C13H21NO3
• Molecular Mass: 239.31074
• Monoisotopic Mass: 239.15214354
• SMILES: N(CCCc1c(cc(c(c1)OC)OC)OC)C
• Canonical SMILES: CNCCCc1cc(OC)c(cc1OC)OC
• InChI: InChI=1S/C13H21NO3/c1-14-7-5-6-10-8-12(16-3)13(17-4)9-11(10)15-2/h8-9,14H,5-7H2,1-4H3
• InChIKey: PZOGOHVTMNKVCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[3-(2,4,5-trimethoxyphenyl)propyl]amine
• IUPAC Traditional name: methyl[3-(2,4,5-trimethoxyphenyl)propyl]amine
• Synonyms: METHYL-[3-(2,4,5-TRIMETHOXY-PHENYL)-PROPYL]-AMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.436272
• LogD (pH = 7.4): -0.8954836
• Log P: 1.7918108
• Molar Refractivity: 68.0516 cm^3
• Polarizability: 26.695719 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%