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

• ChemBase ID: 311053
• Molecular Formular: C13H18N2
• Molecular Mass: 202.29542
• Monoisotopic Mass: 202.14699859
• SMILES: [nH]1cc(c2c1cccc2)CCNC(C)C
• Canonical SMILES: CC(NCCc1c[nH]c2c1cccc2)C
• InChI: InChI=1S/C13H18N2/c1-10(2)14-8-7-11-9-15-13-6-4-3-5-12(11)13/h3-6,9-10,14-15H,7-8H2,1-2H3
• InChIKey: QOCRVKNKLPEDCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(1H-indol-3-yl)ethyl](propan-2-yl)amine
• IUPAC Traditional name: [2-(1H-indol-3-yl)ethyl](isopropyl)amine
• Synonyms: N-[2-(1H-indol-3-yl)ethyl]propan-2-amine

Database IDs

• CAS Number: 14121-10-9
• MDL Number: MFCD00981385

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): -0.54162836
• LogD (pH = 7.4): -0.15620194
• Log P: 2.692401
• Molar Refractivity: 64.3149 cm^3
• Polarizability: 26.311937 Å^3
• Polar Surface Area: 27.82 Å^2