2-(2,3-dihydro-1H-indol-1-yl)aniline

• ChemBase ID: 47601
• Molecular Formular: C14H14N2
• Molecular Mass: 210.27436
• Monoisotopic Mass: 210.11569846
• SMILES: N1(c2c(CC1)cccc2)c1c(N)cccc1
• Canonical SMILES: Nc1ccccc1N1CCc2c1cccc2
• InChI: InChI=1S/C14H14N2/c15-12-6-2-4-8-14(12)16-10-9-11-5-1-3-7-13(11)16/h1-8H,9-10,15H2
• InChIKey: FTCUPLCIWYYZLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-indol-1-yl)aniline
• IUPAC Traditional name: 2-(2,3-dihydroindol-1-yl)aniline
• Synonyms: 2-(2,3-Dihydro-1H-indol-1-yl)phenylamine

Database IDs

• MDL Number: MFCD08699289
• PubChem SID: 162052364
• PubChem CID: 12519118

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.8435888
• LogD (pH = 7.4): 2.8477569
• Log P: 2.8478103
• Molar Refractivity: 67.4509 cm^3
• Polarizability: 25.113234 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false