3-fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine

• ChemBase ID: 274074
• Molecular Formular: C14H20FN
• Molecular Mass: 221.3137032
• Monoisotopic Mass: 221.15797787
• SMILES: c12c(cc(c(c1)F)N)C(CCC2(C)C)(C)C
• Canonical SMILES: Nc1cc2c(cc1F)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C14H20FN/c1-13(2)5-6-14(3,4)10-8-12(16)11(15)7-9(10)13/h7-8H,5-6,16H2,1-4H3
• InChIKey: HNFYWVNKQJXBMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 3-fluoro-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-amine
• Synonyms: 3-fluoro-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine

Database IDs

• MDL Number: MFCD18838729
• PubChem SID: 164329984
• PubChem CID: 54593023

CALCULATED PROPERTIES

• Acid pKa: 19.79155
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.9121895
• LogD (pH = 7.4): 3.913393
• Log P: 3.9134085
• Molar Refractivity: 66.5044 cm^3
• Polarizability: 24.96167 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.906

Product Information

• Purity: 95%