N-Ethyl-2-(trifluoromethoxy)aniline

C₉H₁₀F₃NOCAS 175278-25-8205.18 g/mol

Open in Covalent MOL file

Alkyl halide Ether Secondary amine

Properties

Molecular formula: C₉H₁₀F₃NO
Molar mass: 205.18 g/mol
Exact mass: 205.0714 Da
logP: 3.02Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

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 irritation100% of notifiers

Aggregated from the 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

175278-25-8

SMILES

CCNC1=CC=CC=C1OC(F)(F)F

InChIKey

ZKDGBNRBKFRELS-UHFFFAOYSA-N

InChI

InChI=1S/C9H10F3NO/c1-2-13-7-5-3-4-6-8(7)14-9(10,11)12/h3-6,13H,2H2,1H3

Weigh it out

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

Names and synonyms

1 names

2-(Trifluoromethoxy)ethylaminobenzene

Work with N-Ethyl-2-(trifluoromethoxy)aniline

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

N-Methyl-2-(trifluoromethoxy)aniline175278-04-362 % similar N-Ethyl-2-fluorobenzenamine2707-64-449 % similar 1,3-Diethyl 2-[[[2-(trifluoromethoxy)phenyl]amino]methylene]propanedioate49713-41-948 % similar 1-Fluoro-2-(trifluoromethoxy)benzene2106-18-547 % similar 2-(Trifluoromethoxy)bromobenzene64115-88-446 % similar N-Ethyl-o-toluidine94-68-846 % similar (2-(Trifluoromethoxy)phenyl)methanamine175205-64-845 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-645 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1,1,1-Trifluoro-2-methylpropan-2-yl)pyridin-4(1H)-one1357476-66-4 N-Ethyl-4-(trifluoromethoxy)aniline175278-20-3

Elsewhere

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