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

• ChemBase ID: 811986
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: NC1CCc2c(ccc(c2)OC)C1
• Canonical SMILES: COc1ccc2c(c1)CCC(C2)N
• InChI: InChI=1S/C11H15NO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h3,5,7,10H,2,4,6,12H2,1H3
• InChIKey: WASIYUSITZITPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• IUPAC Traditional name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
• Synonyms: 6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-2-YLAMINE

Database IDs

• CAS Number: 81861-30-5

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2461243
• LogD (pH = 7.4): -0.73201406
• Log P: 1.7742285
• Molar Refractivity: 53.3304 cm^3
• Polarizability: 20.863173 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%