[2-(5-ethoxy-1H-indol-3-yl)ethyl]dimethylamine

• ChemBase ID: 125482
• Molecular Formular: C14H20N2O
• Molecular Mass: 232.3214
• Monoisotopic Mass: 232.15756327
• SMILES: CCOc1cc2c(cc1)[nH]cc2CCN(C)C
• Canonical SMILES: CCOc1ccc2c(c1)c(CCN(C)C)c[nH]2
• InChI: InChI=1S/C14H20N2O/c1-4-17-12-5-6-14-13(9-12)11(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
• InChIKey: OSUDCFCSUHGWJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(5-ethoxy-1H-indol-3-yl)ethyl]dimethylamine
• IUPAC Traditional name: 5-ethoxy-dmt
• Synonyms: 5-Ethoxy-DMT

Database IDs

• CAS Number: 855245-09-9
• PubChem SID: 162219832
• PubChem CID: 57468316
• Chemspider ID: 26286732
• Wikipedia Title: 5-Ethoxy-DMT

CALCULATED PROPERTIES

• Acid pKa: 17.435776
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.89935714
• LogD (pH = 7.4): 0.33478588
• Log P: 2.5012026
• Molar Refractivity: 71.654 cm^3
• Polarizability: 28.7658 Å^3
• Polar Surface Area: 28.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true