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

• ChemBase ID: 255535
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: c12c(cc(cc1)OC)CCCC2N
• Canonical SMILES: COc1ccc2c(c1)CCCC2N
• InChI: InChI=1S/C11H15NO/c1-13-9-5-6-10-8(7-9)3-2-4-11(10)12/h5-7,11H,2-4,12H2,1H3
• InChIKey: NWDPZDVSZWOAFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
• IUPAC Traditional name: 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
• Synonyms: (6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amine; 6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine

Database IDs

• CAS Number: 52373-02-1
• MDL Number: MFCD07778594
• PubChem SID: 164311445
• PubChem CID: 38250

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0776603
• LogD (pH = 7.4): -0.34345183
• Log P: 1.9301358
• Molar Refractivity: 53.1764 cm^3
• Polarizability: 20.93997 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.986

Product Information

• Purity: 95%