1-benzyl-2,3-dihydro-1H-indole

• ChemBase ID: 262700
• Molecular Formular: C15H15N
• Molecular Mass: 209.2863
• Monoisotopic Mass: 209.12044949
• SMILES: N1(c2c(CC1)cccc2)Cc1ccccc1
• Canonical SMILES: c1ccc(cc1)CN1CCc2c1cccc2
• InChI: InChI=1S/C15H15N/c1-2-6-13(7-3-1)12-16-11-10-14-8-4-5-9-15(14)16/h1-9H,10-12H2
• InChIKey: SBWJGPICKZXXOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-2,3-dihydro-1H-indole
• IUPAC Traditional name: 1-benzyl-2,3-dihydroindole
• Synonyms: 1-benzyl-2,3-dihydro-1H-indole

Database IDs

• MDL Number: MFCD12913229
• PubChem SID: 164318610
• PubChem CID: 10805096

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.8437564
• LogD (pH = 7.4): 3.8456273
• Log P: 3.8456514
• Molar Refractivity: 68.4088 cm^3
• Polarizability: 25.84913 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.33

Product Information

• Purity: 95%