2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

• ChemBase ID: 247828
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12C(C(CCc1cccc2)C)N
• Canonical SMILES: CC1CCc2c(C1N)cccc2
• InChI: InChI=1S/C11H15N/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8,11H,6-7,12H2,1H3
• InChIKey: UOTBRMOSRTZZGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 2-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Database IDs

• MDL Number: MFCD09035035
• PubChem SID: 164303738
• PubChem CID: 14348652

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5581349
• LogD (pH = 7.4): 0.13151836
• Log P: 2.45278
• Molar Refractivity: 51.1848 cm^3
• Polarizability: 20.307928 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.586

Product Information

• Purity: 95%