2-Iodo-4-methoxyphenylamine

C₇H₈INOCAS 191348-14-8249.05 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

191348-14-8

SMILES

COC1=CC(=C(C=C1)N)I

InChIKey

ASINPZWBVCLVDK-UHFFFAOYSA-N

InChI

InChI=1S/C7H8INO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3

Weigh it out

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

Work with 2-Iodo-4-methoxyphenylamine

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

4-Methoxy-1,2-phenylenediamine102-51-263 % similar 4-Methoxy-2-methylaniline102-50-162 % similar 2,4-Dimethoxyaniline2735-04-859 % similar 1-Iodo-2,4-dimethoxybenzene20469-63-057 % similar 5-Methoxy-o-toluidine50868-72-957 % similar 4-Methoxybenzene-1,2-diamine dihydrochloride59548-39-957 % similar 2-Fluoro-4-methoxyaniline458-52-655 % similar 2,5-Dimethoxyaniline102-56-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodo-4-methoxybenzenamine74587-12-5 5-Iodo-2-methoxyaniline77770-09-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook