(5-iodo-2-methoxyphenyl)methanamine

• ChemBase ID: 806525
• Molecular Formular: C8H10INO
• Molecular Mass: 263.07557
• Monoisotopic Mass: 262.98071195
• SMILES: NCc1c(ccc(c1)I)OC
• Canonical SMILES: NCc1cc(I)ccc1OC
• InChI: InChI=1S/C8H10INO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,5,10H2,1H3
• InChIKey: WOVHZZTWPMSZNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-iodo-2-methoxyphenyl)methanamine
• IUPAC Traditional name: (5-iodo-2-methoxyphenyl)methanamine
• Synonyms: 5-IODO-2-METHOXY-BENZYLAMINE

Database IDs

• CAS Number: 793695-89-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.9992893
• LogD (pH = 7.4): 0.39531544
• Log P: 1.8702874
• Molar Refractivity: 54.3571 cm^3
• Polarizability: 21.332653 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%