6-fluoro-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

• ChemBase ID: 246518
• Molecular Formular: C11H15ClFN
• Molecular Mass: 215.6949032
• Monoisotopic Mass: 215.08770539
• SMILES: c12c(cc(cc1)F)CCCC2NC.Cl
• Canonical SMILES: CNC1CCCc2c1ccc(c2)F.Cl
• InChI: InChI=1S/C11H14FN.ClH/c1-13-11-4-2-3-8-7-9(12)5-6-10(8)11;/h5-7,11,13H,2-4H2,1H3;1H
• InChIKey: KFMWIZYBAQYHJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• IUPAC Traditional name: 6-fluoro-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride
• Synonyms: 6-fluoro-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine hydrochloride

Database IDs

• MDL Number: MFCD23144312
• PubChem SID: 164302428
• PubChem CID: 71758014

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.53354555
• LogD (pH = 7.4): 0.4081704
• Log P: 2.6630895
• Molar Refractivity: 51.7042 cm^3
• Polarizability: 19.898817 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.626

Product Information

• Purity: 95%