1-(4,5-diethoxy-2-methoxyphenyl)propan-2-amine

• ChemBase ID: 128238
• Molecular Formular: C14H23NO3
• Molecular Mass: 253.33732
• Monoisotopic Mass: 253.1677936
• SMILES: CCOc1cc(OC)c(cc1OCC)CC(C)N
• Canonical SMILES: CCOc1cc(CC(N)C)c(cc1OCC)OC
• InChI: InChI=1S/C14H23NO3/c1-5-17-13-8-11(7-10(3)15)12(16-4)9-14(13)18-6-2/h8-10H,5-7,15H2,1-4H3
• InChIKey: LKJRFMXILZHUHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4,5-diethoxy-2-methoxyphenyl)propan-2-amine
• IUPAC Traditional name: mee (psychedelic)
• Synonyms: 2-Methoxy-4,5-diethoxyphenethylamine; MEE (psychedelic)

Database IDs

• CAS Number: 23693-35-8
• PubChem SID: 162222547
• PubChem CID: 44719591
• Chemspider ID: 21106337
• Wikipedia Title: MEE_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.97157204
• LogD (pH = 7.4): -0.37509248
• Log P: 2.0448525
• Molar Refractivity: 72.592 cm^3
• Polarizability: 28.535963 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true