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

• ChemBase ID: 34261
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: c12c(CC(C1)NC)cccc2.Cl
• Canonical SMILES: CNC1Cc2c(C1)cccc2.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-11-10-6-8-4-2-3-5-9(8)7-10;/h2-5,10-11H,6-7H2,1H3;1H
• InChIKey: HXNHHRJNFKMLPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12027038
• PubChem SID: 160997568
• PubChem CID: 22917782

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3029957
• LogD (pH = 7.4): -0.66248924
• Log P: 1.9199114
• Molar Refractivity: 47.0408 cm^3
• Polarizability: 18.381376 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false