chempirical

3-Iodo-4-methoxybenzenamine

C7H8INOCAS 74587-12-5249.05 g/mol

Open in Covalent MOL file
ONH2I
Aryl halideEtherPrimary amine

Properties

Molecular formula
C7H8INO
Molar mass
249.05 g/mol
Exact mass
248.9651 Da
logP
1.88Crippen estimate
Polar surface area
35.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
74587-12-5
SMILES
COc1ccc(N)cc1I
InChIKey
UHPNLGCUIGEZRB-UHFFFAOYSA-N
InChI
InChI=1S/C7H8INO/c1-10-7-3-2-5(9)4-6(7)8/h2-4H,9H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Benzenamine, 3-iodo-4-methoxy-
  • 3-Iodo-4-methoxyaniline

Work with 3-Iodo-4-methoxybenzenamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4-Diaminoanisole615-05-462 % similar 3-Methoxy-4-methylaniline16452-01-058 % similar 5-Amino-2-methoxyphenol1687-53-256 % similar 3-Chloro-4-methoxyaniline5345-54-056 % similar 2,4-Diaminoanisole dihydrochloride614-94-856 % similar 3-Iodo-4-methylbenzenamine35944-64-053 % similar 4-Amino-2-methoxyphenol52200-90-552 % similar 3-Iodo-4-methoxybenzaldehyde2314-37-651 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook