1-(4-iodophenyl)-2-methylpropan-2-amine

• ChemBase ID: 813903
• Molecular Formular: C10H14IN
• Molecular Mass: 275.12933
• Monoisotopic Mass: 275.01709745
• SMILES: C(C(C)(N)C)c1ccc(cc1)I
• Canonical SMILES: CC(Cc1ccc(cc1)I)(N)C
• InChI: InChI=1S/C10H14IN/c1-10(2,12)7-8-3-5-9(11)6-4-8/h3-6H,7,12H2,1-2H3
• InChIKey: OFSPKQNLMJRFGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-iodophenyl)-2-methylpropan-2-amine
• IUPAC Traditional name: 1-(4-iodophenyl)-2-methylpropan-2-amine
• Synonyms: 1-(4-iodophenyl)-2-methylpropan-2-amine

Database IDs

• CAS Number: 100808-47-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.01094604
• LogD (pH = 7.4): 0.38702932
• Log P: 3.0137715
• Molar Refractivity: 61.7059 cm^3
• Polarizability: 24.152193 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%