2-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethan-1-amine

• ChemBase ID: 247188
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: c12c(C(CCC1(C)C)CCN)cccc2
• Canonical SMILES: NCCC1CCC(c2c1cccc2)(C)C
• InChI: InChI=1S/C14H21N/c1-14(2)9-7-11(8-10-15)12-5-3-4-6-13(12)14/h3-6,11H,7-10,15H2,1-2H3
• InChIKey: XMVUWFWRSSTXDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethan-1-amine
• IUPAC Traditional name: 2-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)ethanamine
• Synonyms: 2-(4,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD16083183
• PubChem SID: 164303098
• PubChem CID: 61700790

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.18085195
• LogD (pH = 7.4): 0.70890844
• Log P: 3.2005935
• Molar Refractivity: 65.2997 cm^3
• Polarizability: 25.76881 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.913

Product Information

• Purity: 95%