N-Methyl-4-(trifluoromethoxy)aniline

C₈H₈F₃NOCAS 41419-59-4191.15 g/mol

Open in Covalent MOL file

Alkyl halide Ether Secondary amine

Properties

Molecular formula: C₈H₈F₃NO
Molar mass: 191.15 g/mol
Exact mass: 191.0558 Da
logP: 2.63Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

41419-59-4

SMILES

CNC1=CC=C(C=C1)OC(F)(F)F

InChIKey

MGCCWCLGIPNIBP-UHFFFAOYSA-N

InChI

InChI=1S/C8H8F3NO/c1-12-6-2-4-7(5-3-6)13-8(9,10)11/h2-5,12H,1H3

Weigh it out

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

Work with N-Methyl-4-(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-Ethyl-4-(trifluoromethoxy)aniline175278-20-359 % similar 4-(Trifluoromethoxy)phenylhydrazine hydrochloride133115-72-756 % similar 4-Trifluoromethoxytoluene706-27-455 % similar 1-Methoxy-4-(trifluoromethoxy)benzene710-18-955 % similar 1-Fluoro-4-(trifluoromethoxy)benzene352-67-052 % similar 4-Methoxy-N-methylbenzenamine5961-59-152 % similar 1-Iado-4-(trifluoromethoxy)benzene103962-05-650 % similar 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea142229-74-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2-(Trifluoromethoxy)phenyl)methanamine175205-64-8 N-Methyl-2-(trifluoromethoxy)aniline175278-04-3 5-(Trifluoromethyl)-m-anisidine349-55-3 2-Methoxy-5-(trifluoromethyl)aniline349-65-5 5-Amino-2-methoxybenzotrifluoride393-15-7 4-Methoxy-2-(trifluoromethyl)aniline53903-49-4 2-Methyl-4-(trifluoromethoxy)aniline86256-59-9 3-(Trifluoromethoxy)benzylamine93071-75-1

Elsewhere

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