8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine

• ChemBase ID: 800324
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: NC1CCc2c(c(ccc2)OC)C1
• Canonical SMILES: COc1cccc2c1CC(N)CC2
• InChI: InChI=1S/C11H15NO/c1-13-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-4,9H,5-7,12H2,1H3
• InChIKey: RVKOHSCTEHZRRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: 8-Methoxy-1,2,3,4-tetrahydro-naphthalen-2-ylamine

Database IDs

• CAS Number: 3880-77-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2429858
• LogD (pH = 7.4): -0.6617906
• Log P: 1.7742285
• Molar Refractivity: 53.3304 cm^3
• Polarizability: 20.864677 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%