1-(2,3,4,5-tetramethoxyphenyl)propan-2-amine

• ChemBase ID: 125199
• Molecular Formular: C13H21NO4
• Molecular Mass: 255.31014
• Monoisotopic Mass: 255.14705816
• SMILES: CC(Cc1cc(c(c(c1OC)OC)OC)OC)N
• Canonical SMILES: COc1cc(CC(N)C)c(c(c1OC)OC)OC
• InChI: InChI=1S/C13H21NO4/c1-8(14)6-9-7-10(15-2)12(17-4)13(18-5)11(9)16-3/h7-8H,6,14H2,1-5H3
• InChIKey: WVNJEHORYAZBRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,3,4,5-tetramethoxyphenyl)propan-2-amine
• IUPAC Traditional name: 1-(2,3,4,5-tetramethoxyphenyl)propan-2-amine
• Synonyms: 2,3,4,5-Tetramethoxyamphetamine

Database IDs

• PubChem SID: 162219549
• PubChem CID: 44350147
• CHEMBL: 124969
• Chemspider ID: 23206528
• Wikipedia Title: 2,3,4,5-Tetramethoxyamphetamine

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.8421843
• LogD (pH = 7.4): -1.2330788
• Log P: 1.1735654
• Molar Refractivity: 69.558 cm^3
• Polarizability: 27.385962 Å^3
• Polar Surface Area: 62.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true