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

• ChemBase ID: 255703
• Molecular Formular: C14H15ClN2
• Molecular Mass: 246.7353
• Monoisotopic Mass: 246.09237617
• SMILES: N1(c2c(CC1)cccc2)c1c(N)cccc1.Cl
• Canonical SMILES: Nc1ccccc1N1CCc2c1cccc2.Cl
• InChI: InChI=1S/C14H14N2.ClH/c15-12-6-2-4-8-14(12)16-10-9-11-5-1-3-7-13(11)16;/h1-8H,9-10,15H2;1H
• InChIKey: SMAKGAAQJRHRGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971660
• PubChem SID: 164311613
• PubChem CID: 12519119

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

Physical Property

• Melting Point: 231 - 233°C
• Hydrophobicity(logP): 3.104

Product Information

• Purity: 95%