1-(2-ethoxy-4,5-dimethoxyphenyl)propan-2-amine

• ChemBase ID: 127245
• Molecular Formular: C13H21NO3
• Molecular Mass: 239.31074
• Monoisotopic Mass: 239.15214354
• SMILES: COc1cc(OCC)c(cc1OC)CC(C)N
• Canonical SMILES: CCOc1cc(OC)c(cc1CC(N)C)OC
• InChI: InChI=1S/C13H21NO3/c1-5-17-11-8-13(16-4)12(15-3)7-10(11)6-9(2)14/h7-9H,5-6,14H2,1-4H3
• InChIKey: SKRNTJDDBVAEGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-ethoxy-4,5-dimethoxyphenyl)propan-2-amine
• IUPAC Traditional name: emm (psychedelic)
• Synonyms: EMM (psychedelic)

Database IDs

• CAS Number: 23693-30-3
• PubChem SID: 162221566
• PubChem CID: 44719565
• Chemspider ID: 21106299
• Wikipedia Title: EMM_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3283795
• LogD (pH = 7.4): -0.7318916
• Log P: 1.6880447
• Molar Refractivity: 67.8434 cm^3
• Polarizability: 26.694714 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true