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

• ChemBase ID: 808783
• Molecular Formular: C13H21NO3
• Molecular Mass: 239.31074
• Monoisotopic Mass: 239.15214354
• SMILES: N(CCCc1c(c(c(cc1)OC)OC)OC)C
• Canonical SMILES: CNCCCc1ccc(c(c1OC)OC)OC
• InChI: InChI=1S/C13H21NO3/c1-14-9-5-6-10-7-8-11(15-2)13(17-4)12(10)16-3/h7-8,14H,5-6,9H2,1-4H3
• InChIKey: KRSKDZXRYNZLPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4363877
• LogD (pH = 7.4): -0.89812565
• Log P: 1.7918108
• Molar Refractivity: 68.0516 cm^3
• Polarizability: 26.69809 Å^3
• Polar Surface Area: 39.72 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%