2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine

• ChemBase ID: 306700
• Molecular Formular: C10H14N2
• Molecular Mass: 162.23156
• Monoisotopic Mass: 162.11569846
• SMILES: N1(c2c(CC1)cccc2)CCN
• Canonical SMILES: NCCN1CCc2c1cccc2
• InChI: InChI=1S/C10H14N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8,11H2
• InChIKey: HNLHKBSAQALACU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(2,3-dihydroindol-1-yl)ethanamine
• Synonyms: 2-(2,3-dihydro-1H-indol-1-yl)ethanamine

Database IDs

• CAS Number: 46006-95-5
• MDL Number: MFCD03011731

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.673983
• LogD (pH = 7.4): -0.82626426
• Log P: 1.3241944
• Molar Refractivity: 51.746 cm^3
• Polarizability: 19.5765 Å^3
• Polar Surface Area: 29.26 Å^2