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

• ChemBase ID: 808680
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: NC1c2cc(ccc2CCC1)OC
• Canonical SMILES: COc1ccc2c(c1)C(N)CCC2
• InChI: InChI=1S/C11H15NO/c1-13-9-6-5-8-3-2-4-11(12)10(8)7-9/h5-7,11H,2-4,12H2,1H3
• InChIKey: XVZQKVKVDOXQJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: 7-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALEN-1-YLAMINE

Database IDs

• CAS Number: 50399-51-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0731505
• LogD (pH = 7.4): -0.28220484
• Log P: 1.9301358
• Molar Refractivity: 53.1764 cm^3
• Polarizability: 20.939323 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%