2-(2-chlorophenyl)propan-2-amine hydrochloride

• ChemBase ID: 90656
• Molecular Formular: C9H13Cl2N
• Molecular Mass: 206.11222
• Monoisotopic Mass: 205.04250478
• SMILES: Clc1c(cccc1)C(C)(C)N.Cl
• Canonical SMILES: Clc1ccccc1C(N)(C)C.Cl
• InChI: InChI=1S/C9H12ClN.ClH/c1-9(2,11)7-5-3-4-6-8(7)10;/h3-6H,11H2,1-2H3;1H
• InChIKey: JESZAZPKQAAOAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)propan-2-amine hydrochloride
• IUPAC Traditional name: 2-(2-chlorophenyl)propan-2-amine hydrochloride
• Synonyms: 2-(2-Chlorophenyl)propan-2-amine hydrochloride; 2-Amino-2-(2-chlorophenyl)propane hydrochloride; 2-Chloro-alpha,alpha-dimethylbenzylamine hydrochloride

Database IDs

• PubChem SID: 162104843
• PubChem CID: 53256941

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.60319114
• LogD (pH = 7.4): 0.18640018
• Log P: 2.4002106
• Molar Refractivity: 48.3932 cm^3
• Polarizability: 19.243807 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful