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

• ChemBase ID: 245911
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C1(Cc2c(C1)cccc2)(N)C.Cl
• Canonical SMILES: CC1(N)Cc2c(C1)cccc2.Cl
• InChI: InChI=1S/C10H13N.ClH/c1-10(11)6-8-4-2-3-5-9(8)7-10;/h2-5H,6-7,11H2,1H3;1H
• InChIKey: SAXMFTYGEDPPFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18432518
• PubChem SID: 164301821
• PubChem CID: 53407632

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2561667
• LogD (pH = 7.4): -0.83890617
• Log P: 1.7679077
• Molar Refractivity: 46.9044 cm^3
• Polarizability: 18.38105 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.837

Product Information

• Purity: 95%