4-Fluoro-3,5-dimethylaniline

C₈H₁₀FNCAS 1840-27-3139.17 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₈H₁₀FN
Molar mass: 139.17 g/mol
Exact mass: 139.0797 Da
logP: 2.02Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation16.7% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, 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

1840-27-3

SMILES

CC1=CC(=CC(=C1F)C)N

InChIKey

IGNFILTZSIUWBS-UHFFFAOYSA-N

InChI

InChI=1S/C8H10FN/c1-5-3-7(10)4-6(2)8(5)9/h3-4H,10H2,1-2H3

Weigh it out

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

Work with 4-Fluoro-3,5-dimethylaniline

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

Mesityl fluoride392-69-857 % similar 4-Bromo-3,5-dimethylaniline59557-90-352 % similar 5-Bromo-2-fluoro-M-xylene99725-44-752 % similar 4-Fluoro-3-methylaniline452-69-752 % similar 3,4,5-Trifluorobenzenamine163733-96-850 % similar 2-Fluoro-3-methyl-5-aminopyridine186593-48-648 % similar 3,4-Xylidine95-64-748 % similar 3-Fluoro-4-methylaniline452-77-746 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Fluorophenethylamine1583-88-6 3-Fluoro-4-methylbenzenemethanamine261951-67-1 (4-Fluoro-3-methylphenyl)methanamine261951-68-2 5-Fluoro-2-methylbenzenemethanamine261951-69-3 N-Ethyl-2-fluorobenzenamine2707-64-4 (+)-1-(4-Fluorophenyl)ethylamine374898-01-8 2-Fluoro-N-methylbenzylamine399-30-4 1-(4-Fluorophenyl)ethylamine403-40-7

Elsewhere

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