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

• ChemBase ID: 274073
• Molecular Formular: C14H20ClN
• Molecular Mass: 237.7683
• Monoisotopic Mass: 237.12842733
• SMILES: c12c(cc(c(c1)Cl)N)C(CCC2(C)C)(C)C
• Canonical SMILES: Nc1cc2c(cc1Cl)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C14H20ClN/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: NPIBGJQKCQIGKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838728
• PubChem SID: 164329983
• PubChem CID: 18983551

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.3721685
• LogD (pH = 7.4): 4.3747187
• Log P: 4.374751
• Molar Refractivity: 71.0928 cm^3
• Polarizability: 27.177906 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.556

Product Information

• Purity: 95%