6,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

• ChemBase ID: 127440
• Molecular Formular: C14H16F2N2
• Molecular Mass: 250.2870464
• Monoisotopic Mass: 250.12815496
• SMILES: CN(C)C1CCc2c(C1)c1cc(cc(c1[nH]2)F)F
• Canonical SMILES: Fc1cc(F)c2c(c1)c1CC(CCc1[nH]2)N(C)C
• InChI: InChI=1S/C14H16F2N2/c1-18(2)9-3-4-13-10(7-9)11-5-8(15)6-12(16)14(11)17-13/h5-6,9,17H,3-4,7H2,1-2H3
• InChIKey: FXNCRITWFOVSEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
• IUPAC Traditional name: flucindole
• Synonyms: Flucindole

Database IDs

• CAS Number: 40594-09-0
• PubChem SID: 162221761
• PubChem CID: 38531
• KEGG ID: D02658
• Unique Ingredient Identifier: 5CYU0D0S8M
• Wikipedia Title: Flucindole

CALCULATED PROPERTIES

• Acid pKa: 15.4392805
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5633184
• LogD (pH = 7.4): 0.35357806
• Log P: 2.8957875
• Molar Refractivity: 68.4873 cm^3
• Polarizability: 26.52615 Å^3
• Polar Surface Area: 19.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled