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

• ChemBase ID: 263041
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: c12c(CCC1NCC)cccc2.Cl
• Canonical SMILES: CCNC1CCc2c1cccc2.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-2-12-11-8-7-9-5-3-4-6-10(9)11;/h3-6,11-12H,2,7-8H2,1H3;1H
• InChIKey: OSRLONJYSAHYIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13195952
• PubChem SID: 164318951
• PubChem CID: 45792227

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7804579
• LogD (pH = 7.4): 5.663589E-4
• Log P: 2.4326267
• Molar Refractivity: 51.6354 cm^3
• Polarizability: 20.307844 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.453

Product Information

• Purity: 95%