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

• ChemBase ID: 127243
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: CCc1[nH]c2ccc(OC)cc2c1CCN(C)C
• Canonical SMILES: CCc1[nH]c2c(c1CCN(C)C)cc(cc2)OC
• InChI: InChI=1S/C15H22N2O/c1-5-14-12(8-9-17(2)3)13-10-11(18-4)6-7-15(13)16-14/h6-7,10,16H,5,8-9H2,1-4H3
• InChIKey: ZEYRDXUWJDGTLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 162221564
• PubChem CID: 6918513
• Chemspider ID: 5293710
• IUPHAR ligand ID: 12
• Wikipedia Title: EMDT

CALCULATED PROPERTIES

• Acid pKa: 17.431862
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.5331843
• LogD (pH = 7.4): 0.7041494
• Log P: 2.8664782
• Molar Refractivity: 76.5791 cm^3
• Polarizability: 30.528809 Å^3
• Polar Surface Area: 28.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true