2-(2,6-dichlorophenyl)propan-2-amine

• ChemBase ID: 802802
• Molecular Formular: C9H11Cl2N
• Molecular Mass: 204.09634
• Monoisotopic Mass: 203.02685472
• SMILES: CC(C)(N)c1c(cccc1Cl)Cl
• Canonical SMILES: Clc1cccc(c1C(N)(C)C)Cl
• InChI: InChI=1S/C9H11Cl2N/c1-9(2,12)8-6(10)4-3-5-7(8)11/h3-5H,12H2,1-2H3
• InChIKey: DRCMIKCSLJQIFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,6-dichlorophenyl)propan-2-amine
• IUPAC Traditional name: 2-(2,6-dichlorophenyl)propan-2-amine
• Synonyms: 2-(2,6-DICHLOROPHENYL)PROPAN-2-AMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.025432467
• LogD (pH = 7.4): 1.0309452
• Log P: 3.0042553
• Molar Refractivity: 53.198 cm^3
• Polarizability: 21.117474 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%