4-(2,3-dihydro-1H-indol-1-yl)aniline

• ChemBase ID: 47778
• Molecular Formular: C14H14N2
• Molecular Mass: 210.27436
• Monoisotopic Mass: 210.11569846
• SMILES: N1(c2c(CC1)cccc2)c1ccc(N)cc1
• Canonical SMILES: Nc1ccc(cc1)N1CCc2c1cccc2
• InChI: InChI=1S/C14H14N2/c15-12-5-7-13(8-6-12)16-10-9-11-3-1-2-4-14(11)16/h1-8H,9-10,15H2
• InChIKey: NIAZCPBPDHIJEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,3-dihydro-1H-indol-1-yl)aniline
• IUPAC Traditional name: 4-(2,3-dihydroindol-1-yl)aniline
• Synonyms: 4-(2,3-Dihydro-1H-indol-1-yl)phenylamine; 4-(2,3-dihydro-1H-indol-1-yl)aniline

Database IDs

• MDL Number: MFCD08699237
• PubChem SID: 162052541
• PubChem CID: 16793305

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 2.6254537
• LogD (pH = 7.4): 2.8441577
• Log P: 2.8478103
• Molar Refractivity: 67.4509 cm^3
• Polarizability: 25.111698 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 2

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 3.104

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%