[2-(1H-indol-3-yl)ethyl](2-phenylethyl)amine hydrochloride

• ChemBase ID: 223010
• Molecular Formular: C18H21ClN2
• Molecular Mass: 300.82574
• Monoisotopic Mass: 300.13932636
• SMILES: [nH]1cc(c2c1cccc2)CCNCCc1ccccc1.Cl
• Canonical SMILES: N(CCc1c[nH]c2c1cccc2)CCc1ccccc1.Cl
• InChI: InChI=1S/C18H20N2.ClH/c1-2-6-15(7-3-1)10-12-19-13-11-16-14-20-18-9-5-4-8-17(16)18;/h1-9,14,19-20H,10-13H2;1H
• InChIKey: HMMCPLSVTHCDOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-indol-3-yl)ethyl](2-phenylethyl)amine hydrochloride
• IUPAC Traditional name: [2-(1H-indol-3-yl)ethyl](2-phenylethyl)amine hydrochloride

Database IDs

• PubChem SID: 164278920
• PubChem CID: 17158291

CALCULATED PROPERTIES

• Acid pKa: 17.167685
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 0.69838715
• LogD (pH = 7.4): 1.0920906
• Log P: 3.9321523
• Molar Refractivity: 84.5151 cm^3
• Polarizability: 34.03115 Å^3
• Polar Surface Area: 27.82 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCL
• Classification: Derivatives & analogs of Natural Compounds