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

• ChemBase ID: 242518
• Molecular Formular: C11H15N
• Molecular Mass: 161.2435
• Monoisotopic Mass: 161.12044949
• SMILES: c12c(C(CCC1N)C)cccc2
• Canonical SMILES: NC1CCC(c2c1cccc2)C
• InChI: InChI=1S/C11H15N/c1-8-6-7-11(12)10-5-3-2-4-9(8)10/h2-5,8,11H,6-7,12H2,1H3
• InChIKey: HPLRBWQBQGXWTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20702687
• PubChem SID: 164298428
• PubChem CID: 22742555

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.6328846
• LogD (pH = 7.4): 0.1024759
• Log P: 2.3748262
• Molar Refractivity: 51.2618 cm^3
• Polarizability: 20.3071 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%