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

• ChemBase ID: 274072
• Molecular Formular: C14H20BrN
• Molecular Mass: 282.2193
• Monoisotopic Mass: 281.07791165
• SMILES: c12c(cc(c(c1)Br)N)C(CCC2(C)C)(C)C
• Canonical SMILES: Nc1cc2c(cc1Br)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C14H20BrN/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: JOVFUMDICFXFBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838727
• PubChem SID: 164329982
• PubChem CID: 14186446

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.533062
• LogD (pH = 7.4): 4.539378
• Log P: 4.539459
• Molar Refractivity: 73.9108 cm^3
• Polarizability: 28.001635 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.756

Product Information

• Purity: 95%