1-(2,4,5-triethoxyphenyl)propan-2-amine

• ChemBase ID: 127225
• Molecular Formular: C15H25NO3
• Molecular Mass: 267.3639
• Monoisotopic Mass: 267.18344367
• SMILES: CCOc1cc(OCC)c(cc1OCC)CC(C)N
• Canonical SMILES: CCOc1cc(OCC)c(cc1CC(N)C)OCC
• InChI: InChI=1S/C15H25NO3/c1-5-17-13-10-15(19-7-3)14(18-6-2)9-12(13)8-11(4)16/h9-11H,5-8,16H2,1-4H3
• InChIKey: PVOHHXSVHWUAMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4,5-triethoxyphenyl)propan-2-amine
• IUPAC Traditional name: eee (psychedelic)
• Synonyms: EEE (psychedelic)

Database IDs

• CAS Number: 23693-42-7
• PubChem SID: 162221547
• PubChem CID: 44719557
• Chemspider ID: 21106296
• Wikipedia Title: EEE_(psychedelic)

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.614737
• LogD (pH = 7.4): -0.017742176
• Log P: 2.4016604
• Molar Refractivity: 77.3406 cm^3
• Polarizability: 30.377834 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true