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

• ChemBase ID: 815677
• Molecular Formular: C9H12ClN
• Molecular Mass: 169.65128
• Monoisotopic Mass: 169.06582707
• SMILES: CC(C)(N)c1c(cccc1)Cl
• Canonical SMILES: Clc1ccccc1C(N)(C)C
• InChI: InChI=1S/C9H12ClN/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6H,11H2,1-2H3
• InChIKey: VCYQGFYYGDQOIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)propan-2-amine
• IUPAC Traditional name: 2-(2-chlorophenyl)propan-2-amine
• Synonyms: 2-(2-chlorophenyl)propan-2-amine

Database IDs

• CAS Number: 50481-48-6

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

Product Information

• Purity: 98%