2-Bromo-5-methoxybenzenamine

C₇H₈BrNOCAS 59557-92-5202.05 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₈BrNO
Molar mass: 202.05 g/mol
Exact mass: 200.9789 Da
logP: 2.04Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59557-92-5

SMILES

COc1ccc(Br)c(N)c1

InChIKey

PRQDMSJEMCRFMI-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BrNO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3

Weigh it out

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

Names and synonyms

4 names

Benzenamine, 2-bromo-5-methoxy-
6-Bromo-3-methoxyaniline
2-Bromo-5-methoxyaniline
2-Bromo-5-methoxyphenylamine

Work with 2-Bromo-5-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

4-Methoxy-1,2-phenylenediamine102-51-263 % similar 1-Bromo-2,4-dimethoxybenzene17715-69-462 % similar 4-Bromo-3-methylanisole27060-75-960 % similar 2,5-Dimethoxyaniline102-56-759 % similar 4-Bromo-3-fluoroanisole408-50-458 % similar 1-Bromo-2-fluoro-4-methoxybenzene458-50-458 % similar 1-Bromo-2-chloro-4-methoxybenzene50638-46-558 % similar 2-Bromo-5-methoxyphenol63604-94-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-3-methoxy-2-methylpyridine1150617-80-3 2-Amino-6-bromoanisole116557-46-1 5-Bromo-2-methoxy-6-picoline126717-59-7 5-Bromo-2-methoxy-4-methylpyridine164513-39-7 4-Bromo-3-methoxyaniline19056-40-7 3-Bromo-4-methoxyaniline19056-41-8 5-Bromo-2-ethoxypyridine55849-30-4 3-Bromo-2-ethoxypyridine57883-25-7

Elsewhere

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