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

• ChemBase ID: 125483
• Molecular Formular: C14H20N2
• Molecular Mass: 216.322
• Monoisotopic Mass: 216.16264865
• SMILES: CN(C)CCc1c[nH]c2ccc(CC)cc12
• Canonical SMILES: CCc1ccc2c(c1)c(CCN(C)C)c[nH]2
• InChI: InChI=1S/C14H20N2/c1-4-11-5-6-14-13(9-11)12(10-15-14)7-8-16(2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
• InChIKey: ZEHXYLDGQMEYAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 171783-25-8
• PubChem SID: 162219833
• PubChem CID: 10775128
• CHEMBL: 50492
• Chemspider ID: 8950441
• Wikipedia Title: 5-Ethyl-DMT

CALCULATED PROPERTIES

• Acid pKa: 17.374123
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.13751787
• LogD (pH = 7.4): 1.1071281
• Log P: 3.2600558
• Molar Refractivity: 70.0844 cm^3
• Polarizability: 28.073292 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true