N-ethyl-2,3-dihydro-1H-inden-2-amine hydrochloride

• ChemBase ID: 34050
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c12c(CC(C1)NCC)cccc2.Cl
• Canonical SMILES: CCNC1Cc2c(C1)cccc2.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-2-12-11-7-9-5-3-4-6-10(9)8-11;/h3-6,11-12H,2,7-8H2,1H3;1H
• InChIKey: MLAQAFPYZQJTOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
• IUPAC Traditional name: N-ethyl-2,3-dihydro-1H-inden-2-amine hydrochloride
• Synonyms: N-2,3-Dihydro-1H-inden-2-yl-N-ethylamine hydrochloride

Database IDs

• MDL Number: MFCD09455334
• PubChem SID: 160997357
• PubChem CID: 17221238

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9494225
• LogD (pH = 7.4): -0.36835238
• Log P: 2.2767193
• Molar Refractivity: 51.7894 cm^3
• Polarizability: 20.228407 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false