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

• ChemBase ID: 808679
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: NC1c2cccc(c2CCC1)OC
• Canonical SMILES: COc1cccc2c1CCCC2N
• InChI: InChI=1S/C11H15NO/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h3-4,7,10H,2,5-6,12H2,1H3
• InChIKey: WGLJGXBRZQHFBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 5-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 5-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

Database IDs

• CAS Number: 52372-97-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.074017
• LogD (pH = 7.4): -0.29336146
• Log P: 1.9301358
• Molar Refractivity: 53.1764 cm^3
• Polarizability: 20.940886 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%