1-(2-chlorophenyl)-2-methylpropan-2-amine hydrochloride

• ChemBase ID: 269744
• Molecular Formular: C10H15Cl2N
• Molecular Mass: 220.1388
• Monoisotopic Mass: 219.05815485
• SMILES: c1(CC(N)(C)C)c(Cl)cccc1.Cl
• Canonical SMILES: Clc1ccccc1CC(N)(C)C.Cl
• InChI: InChI=1S/C10H14ClN.ClH/c1-10(2,12)7-8-5-3-4-6-9(8)11;/h3-6H,7,12H2,1-2H3;1H
• InChIKey: QNJJECIHYZJXRL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)-2-methylpropan-2-amine hydrochloride
• IUPAC Traditional name: clortermine hydrochloride
• Synonyms: 1-(2-chlorophenyl)-2-methylpropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD01708325
• PubChem SID: 164325654
• PubChem CID: 66361

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3342247
• LogD (pH = 7.4): 0.11074436
• Log P: 2.6888719
• Molar Refractivity: 53.1482 cm^3
• Polarizability: 21.008842 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.854

Product Information

• Purity: 95%