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

• ChemBase ID: 814356
• Molecular Formular: C10H13N
• Molecular Mass: 147.21692
• Monoisotopic Mass: 147.10479942
• SMILES: C1(Cc2ccccc2N1)(C)C
• Canonical SMILES: CC1(C)Cc2c(N1)cccc2
• InChI: InChI=1S/C10H13N/c1-10(2)7-8-5-3-4-6-9(8)11-10/h3-6,11H,7H2,1-2H3
• InChIKey: RXCOLBXGORCBMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 18023-30-8

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.1459837
• LogD (pH = 7.4): 2.182577
• Log P: 2.1830642
• Molar Refractivity: 48.6184 cm^3
• Polarizability: 18.057766 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%