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

• ChemBase ID: 127244
• Molecular Formular: C14H23NO3
• Molecular Mass: 253.33732
• Monoisotopic Mass: 253.1677936
• SMILES: COc1cc(OCC)c(cc1OCC)CC(C)N
• Canonical SMILES: CCOc1cc(OC)c(cc1CC(N)C)OCC
• InChI: InChI=1S/C14H23NO3/c1-5-17-12-9-13(16-4)14(18-6-2)8-11(12)7-10(3)15/h8-10H,5-7,15H2,1-4H3
• InChIKey: IVHFHHXLFFHTTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,5-diethoxy-4-methoxyphenyl)propan-2-amine
• IUPAC Traditional name: eme (psychedelic)
• Synonyms: EME (psychedelic)

Database IDs

• CAS Number: 23693-34-7
• PubChem SID: 162221565
• PubChem CID: 44719562
• Chemspider ID: 21106298
• Wikipedia Title: EME_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.97156394
• LogD (pH = 7.4): -0.37493074
• Log P: 2.0448525
• Molar Refractivity: 72.592 cm^3
• Polarizability: 28.535965 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true