2-methyl-2-(2-methylphenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 279017
• Molecular Formular: C11H16ClN
• Molecular Mass: 197.70444
• Monoisotopic Mass: 197.0971272
• SMILES: C1(CC1N)(c1c(C)cccc1)C.Cl
• Canonical SMILES: NC1CC1(C)c1ccccc1C.Cl
• InChI: InChI=1S/C11H15N.ClH/c1-8-5-3-4-6-9(8)11(2)7-10(11)12;/h3-6,10H,7,12H2,1-2H3;1H
• InChIKey: WLDUEGOJHABMOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-2-(2-methylphenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-methyl-2-(2-methylphenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-methyl-2-(2-methylphenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD20233577
• PubChem SID: 164334927
• PubChem CID: 54595094

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.73471445
• LogD (pH = 7.4): 0.35313928
• Log P: 2.2303047
• Molar Refractivity: 51.1359 cm^3
• Polarizability: 20.228546 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.446

Product Information

• Purity: 95%