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

• ChemBase ID: 193689
• Molecular Formular: C15H22N2O
• Molecular Mass: 246.34798
• Monoisotopic Mass: 246.17321333
• SMILES: [nH]1cc(c2c1ccc(c2)OC)CCN(CC)CC
• Canonical SMILES: CCN(CCc1c[nH]c2c1cc(OC)cc2)CC
• InChI: InChI=1S/C15H22N2O/c1-4-17(5-2)9-8-12-11-16-15-7-6-13(18-3)10-14(12)15/h6-7,10-11,16H,4-5,8-9H2,1-3H3
• InChIKey: KGDVJQQWCDDEPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl[2-(5-methoxy-1H-indol-3-yl)ethyl]amine
• IUPAC Traditional name: 5-MeO-DET

Database IDs

• PubChem SID: 164249599
• PubChem CID: 417608

CALCULATED PROPERTIES

• Acid pKa: 17.441011
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.61159736
• LogD (pH = 7.4): 0.20297536
• Log P: 2.8580105
• Molar Refractivity: 76.4026 cm^3
• Polarizability: 30.612919 Å^3
• Polar Surface Area: 28.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds