5-phenyl-2,3-dihydro-1H-indole

• ChemBase ID: 240217
• Molecular Formular: C14H13N
• Molecular Mass: 195.25972
• Monoisotopic Mass: 195.10479942
• SMILES: c1(cc2c(NCC2)cc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1ccc2c(c1)CCN2
• InChI: InChI=1S/C14H13N/c1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14/h1-7,10,15H,8-9H2
• InChIKey: OTLWHHHZQLDXEK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-phenyl-2,3-dihydro-1H-indole
• IUPAC Traditional name: 5-phenyl-2,3-dihydro-1H-indole
• Synonyms: 5-phenyl-2,3-dihydro-1H-indole

Database IDs

• MDL Number: MFCD06802121
• PubChem SID: 164296127
• PubChem CID: 13497475

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.098093
• LogD (pH = 7.4): 3.1326785
• Log P: 3.1331377
• Molar Refractivity: 64.6976 cm^3
• Polarizability: 25.443993 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.664

Product Information

• Purity: 95%