5-Fluoro-2-methoxyaniline

C₇H₈FNOCAS 1978-39-8141.15 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₇H₈FNO
Molar mass: 141.15 g/mol
Exact mass: 141.0590 Da
logP: 1.42Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed15.2% of notifiers
H302 Harmful if swallowed84.8% of notifiers
H311 Toxic in contact with skin15.2% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation84.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure13% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1978-39-8

SMILES

COC1=C(C=C(C=C1)F)N

InChIKey

VYZUBHRSGQAROM-UHFFFAOYSA-N

InChI

InChI=1S/C7H8FNO/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,9H2,1H3

Weigh it out

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

Work with 5-Fluoro-2-methoxyaniline

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-Fluoro-1,2-dimethoxybenzene398-62-967 % similar 2,4-Difluoroanisole452-10-862 % similar 4-Fluoro-1-methoxy-2-methylbenzene399-54-260 % similar 2,5-Dimethoxyaniline102-56-759 % similar 2,4-Diaminoanisole615-05-459 % similar 2-Chloro-4-fluoro-1-methoxybenzene2267-25-658 % similar 2-Bromo-4-fluoro-1-methoxybenzene452-08-458 % similar 5-Fluoro-2-methoxyphenol72955-97-658 % similar

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

Same formula

3-Fluoro-5-methoxyaniline2339-58-4 3-Fluoro-4-methoxyaniline366-99-4 3-Fluoro-2-methoxy-6-methylpyridine375368-80-2 5-Fluoro-2-methoxy-6-picoline375368-86-8 3-Fluoro-2-methoxyaniline437-83-2 2-Fluoro-6-methoxyaniline446-61-7 4-Fluoro-2-methoxyaniline450-91-9 2-Fluoro-4-methoxyaniline458-52-6

Elsewhere

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