1-(1H-indol-1-yl)propan-2-amine

• ChemBase ID: 306519
• Molecular Formular: C11H14N2
• Molecular Mass: 174.24226
• Monoisotopic Mass: 174.11569846
• SMILES: n1(ccc2c1cccc2)CC(N)C
• Canonical SMILES: CC(Cn1ccc2c1cccc2)N
• InChI: InChI=1S/C11H14N2/c1-9(12)8-13-7-6-10-4-2-3-5-11(10)13/h2-7,9H,8,12H2,1H3
• InChIKey: OZPPCCIRSILHOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1H-indol-1-yl)propan-2-amine
• IUPAC Traditional name: 1-(indol-1-yl)propan-2-amine
• Synonyms: 1-(1H-indol-1-yl)propan-2-amine

Database IDs

• CAS Number: 1227465-67-9
• MDL Number: MFCD16556104

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1004212
• LogD (pH = 7.4): -0.49033025
• Log P: 1.9152751
• Molar Refractivity: 54.4098 cm^3
• Polarizability: 22.616903 Å^3
• Polar Surface Area: 30.95 Å^2