1-(3-chlorophenyl)-2-methylpropan-2-amine

• ChemBase ID: 804238
• Molecular Formular: C10H14ClN
• Molecular Mass: 183.67786
• Monoisotopic Mass: 183.08147713
• SMILES: C(C(C)(N)C)c1cc(ccc1)Cl
• Canonical SMILES: Clc1cccc(c1)CC(N)(C)C
• InChI: InChI=1S/C10H14ClN/c1-10(2,12)7-8-4-3-5-9(11)6-8/h3-6H,7,12H2,1-2H3
• InChIKey: GJVWUURQKKBCFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chlorophenyl)-2-methylpropan-2-amine
• IUPAC Traditional name: 1-(3-chlorophenyl)-2-methylpropan-2-amine
• Synonyms: 1-(3-CHLOROPHENYL)-2-METHYLPROPAN-2-AMINE

Database IDs

• CAS Number: 103273-65-0

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.3354749
• LogD (pH = 7.4): 0.07372844
• Log P: 2.6888719
• Molar Refractivity: 53.1482 cm^3
• Polarizability: 21.007969 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%