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

• ChemBase ID: 273570
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c12C(C(Cc1cccc2)C)N.Cl
• Canonical SMILES: NC1C(C)Cc2c1cccc2.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-7-6-8-4-2-3-5-9(8)10(7)11;/h2-5,7,10H,6,11H2,1H3;1H
• InChIKey: VOUOYFBPJNPFMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18785513
• PubChem SID: 164329480
• PubChem CID: 53558184

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0021024
• LogD (pH = 7.4): -0.3034672
• Log P: 2.0082114
• Molar Refractivity: 46.5838 cm^3
• Polarizability: 18.460617 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 259 - 261°C
• Hydrophobicity(logP): 2.027

Product Information

• Purity: 95%