3-Trifluoromethyl-4'-methoxydiphenylamine

C₁₄H₁₂F₃NOCAS 1494-26-4267.25 g/mol

Open in Covalent MOL file

Alkyl halide Ether Secondary amine

Properties

Molecular formula: C₁₄H₁₂F₃NO
Molar mass: 267.25 g/mol
Exact mass: 267.0871 Da
logP: 4.46Crippen estimate
Polar surface area: 21.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1494-26-4

SMILES

COC1=CC=C(C=C1)NC2=CC=CC(=C2)C(F)(F)F

InChIKey

VODIERGLAGAWQU-UHFFFAOYSA-N

InChI

InChI=1S/C14H12F3NO/c1-19-13-7-5-11(6-8-13)18-12-4-2-3-10(9-12)14(15,16)17/h2-9,18H,1H3

Weigh it out

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

Work with 3-Trifluoromethyl-4'-methoxydiphenylamine

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

1-Methoxy-3-(trifluoromethyl)benzene454-90-061 % similar N-(4-Methoxyphenyl)aniline1208-86-257 % similar 4,4′-Dimethoxydiphenylamine101-70-255 % similar 1-Methoxy-4-(trifluoromethyl)benzene402-52-854 % similar 3-Methoxydiphenylamine101-16-653 % similar [3-(Trifluoromethyl)phenyl]hydrazine368-78-550 % similar 4-Methoxy-4'-methyldiphenylamine39253-43-547 % similar 3-Amino-4-(4-methoxyphenoxy)benzotrifluoride62966-74-947 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook