2,6-dimethyl-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 248324
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c12c(CC(C1N)C)ccc(c2)C.Cl
• Canonical SMILES: CC1Cc2c(C1N)cc(cc2)C.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-7-3-4-9-6-8(2)11(12)10(9)5-7;/h3-5,8,11H,6,12H2,1-2H3;1H
• InChIKey: NNNCTWOOSYPXJE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304234
• PubChem CID: 71758448

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.4903157
• LogD (pH = 7.4): 0.18341286
• Log P: 2.5216327
• Molar Refractivity: 51.625 cm^3
• Polarizability: 20.225628 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 209 - 211°C
• Hydrophobicity(logP): 2.526

Product Information

• Purity: 95%