3-Amino-4-(4-morpholino)benzotrifluoride

C₁₁H₁₃F₃N₂OCAS 784-57-6246.23 g/mol

Open in Covalent MOL file

Alkyl halide Ether Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₃F₃N₂O
Molar mass: 246.23 g/mol
Exact mass: 246.0980 Da
logP: 2.12Crippen estimate
Polar surface area: 38.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302+H312 Harmful if swallowed or in contact with skin84.4% of notifiers
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
H331 Toxic if inhaled84.4% of notifiers
H332 Harmful if inhaled15.6% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 45 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, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

784-57-6

SMILES

C1COCCN1C2=C(C=C(C=C2)C(F)(F)F)N

InChIKey

CNVOJNRNRNAOOP-UHFFFAOYSA-N

InChI

InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(9(15)7-8)16-3-5-17-6-4-16/h1-2,7H,3-6,15H2

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

Names and synonyms

1 names

N-(2-Amino-4-(trifluoromethyl)phenyl)morpholine

Work with 3-Amino-4-(4-morpholino)benzotrifluoride

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-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline133184-80-275 % similar N-(2-Amino-4-trifluoromethylphenyl)piperidine1496-40-873 % similar 2-Morpholinoaniline5585-33-153 % similar 3,4-Diaminobenzotrifluoride368-71-850 % similar 2,5-Bis(trifluoromethyl)aniline328-93-847 % similar 3-Fluoro-4-morpholinoaniline93246-53-847 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-546 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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