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

• ChemBase ID: 1314
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: Clc1c(CC(N)(C)C)cccc1
• Canonical SMILES: Clc1ccccc1CC(N)(C)C
• InChI: InChI=1S/C10H14ClN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H2,1-2H3
• InChIKey: HXCXASJHZQXCKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)-2-methylpropan-2-amine
• IUPAC Traditional name: clortermine
• Synonyms: Clortermine; 1-(2-CHLOROPHENYL)-2-METHYLPROPAN-2-AMINE

Database IDs

• CAS Number: 10389-73-8
• PubChem SID: 46505926; 160964774
• PubChem CID: 25223

CALCULATED PROPERTIES

JChem

• 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

ALOGPS 2.1

• Log P: 2.67
• LOG S: -3.25
• Solubility (Water): 1.04e-01 g/l

PROPERTIES

Product Information

• Purity: 98%

DETAILS

DrugBank - DB01527

• Drug Groups: illicit; experimental
• External Links: Wikipedia