dimethyl({3-[10-methyl-2-(trifluoromethyl)-9,10-dihydroanthracen-9-yl]propyl})amine

• ChemBase ID: 127460
• Molecular Formular: C21H24F3N
• Molecular Mass: 347.4171696
• Monoisotopic Mass: 347.18608443
• SMILES: FC(F)(F)c1ccc2c(c1)C(c1ccccc1C2C)CCCN(C)C
• Canonical SMILES: CN(CCCC1c2ccccc2C(c2c1cc(cc2)C(F)(F)F)C)C
• InChI: InChI=1S/C21H24F3N/c1-14-16-7-4-5-8-18(16)19(9-6-12-25(2)3)20-13-15(21(22,23)24)10-11-17(14)20/h4-5,7-8,10-11,13-14,19H,6,9,12H2,1-3H3
• InChIKey: JTAJFHGSVCEPKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl({3-[10-methyl-2-(trifluoromethyl)-9,10-dihydroanthracen-9-yl]propyl})amine
• IUPAC Traditional name: fluotracen
• Synonyms: Fluotracen

Database IDs

• CAS Number: 35764-73-9
• PubChem SID: 162221779
• PubChem CID: 42291
• Chemspider ID: 38565
• Unique Ingredient Identifier: 3026WKR55S
• Wikipedia Title: Fluotracen

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.360879
• LogD (pH = 7.4): 3.4382463
• Log P: 5.79668
• Molar Refractivity: 97.4028 cm^3
• Polarizability: 36.19334 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Uncontrolled