6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 236460
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: c12c(CC(C1N)C)ccc(c2)F.Cl
• Canonical SMILES: CC1Cc2c(C1N)cc(cc2)F.Cl
• InChI: InChI=1S/C10H12FN.ClH/c1-6-4-7-2-3-8(11)5-9(7)10(6)12;/h2-3,5-6,10H,4,12H2,1H3;1H
• InChIKey: MCWIMLJKRNMZRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: 6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: 6-fluoro-2-methyl-2,3-dihydro-1H-inden-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22196593
• PubChem SID: 164292370
• PubChem CID: 71755717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8491697
• LogD (pH = 7.4): -0.022355175
• Log P: 2.1509132
• Molar Refractivity: 46.8002 cm^3
• Polarizability: 18.056648 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 276 - 278°C
• Hydrophobicity(logP): 2.17

Product Information

• Purity: 95%