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

• ChemBase ID: 260457
• Molecular Formular: C15H16N2
• Molecular Mass: 224.30094
• Monoisotopic Mass: 224.13134852
• SMILES: N1(Cc2c(N)cccc2)c2c(CC1)cccc2
• Canonical SMILES: Nc1ccccc1CN1CCc2c1cccc2
• InChI: InChI=1S/C15H16N2/c16-14-7-3-1-6-13(14)11-17-10-9-12-5-2-4-8-15(12)17/h1-8H,9-11,16H2
• InChIKey: CEWQIFHKJLVCAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09814125
• PubChem SID: 164316367
• PubChem CID: 18069742

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.008445
• LogD (pH = 7.4): 3.0166202
• Log P: 3.0167253
• Molar Refractivity: 73.1092 cm^3
• Polarizability: 26.96045 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): 3.053

Product Information

• Purity: 95%