2-(4-Chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)aniline

C₁₅H₁₃ClF₃NOCAS 175134-99-3315.72 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether Primary amine

Properties

Molecular formula: C₁₅H₁₃ClF₃NO
Molar mass: 315.72 g/mol
Exact mass: 315.0638 Da
logP: 5.35Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

175134-99-3

SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C=C2)C(F)(F)F)N

InChIKey

FRFHKLYQWNKCPQ-UHFFFAOYSA-N

InChI

InChI=1S/C15H13ClF3NO/c1-8-5-11(6-9(2)14(8)16)21-13-4-3-10(7-12(13)20)15(17,18)19/h3-7H,20H2,1-2H3

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Names and synonyms

1 names

3-Amino-4-(4-chloro-3,5-dimethylphenoxy)benzotrifluoride

Work with 2-(4-Chloro-3,5-dimethylphenoxy)-5-(trifluoromethyl)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

3-Amino-4-(4-methoxyphenoxy)benzotrifluoride62966-74-961 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-555 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-154 % similar 2-(2-Methoxyphenoxy)-5-(trifluoromethyl)benzenamine175135-08-753 % similar 4-Amino-3-methylbenzotrifluoride67169-22-650 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-647 % similar 2-Chloro-5-(trifluoromethyl)benzene-1,3-diamine34207-44-846 % similar 1-(4-Chloro-3-methylphenoxy)-2-nitro-4-(trifluoromethyl)benzene1799-97-945 % similar

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

Elsewhere

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