4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline

C₁₃H₁₈F₃N₃CAS 694499-26-8273.30 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Tertiary amine

Properties

Molecular formula: C₁₃H₁₈F₃N₃
Molar mass: 273.30 g/mol
Exact mass: 273.1453 Da
logP: 2.04Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
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

694499-26-8

SMILES

CN1CCN(CC1)CC2=C(C=C(C=C2)N)C(F)(F)F

InChIKey

ZMWAZMYBMAAMAW-UHFFFAOYSA-N

InChI

InChI=1S/C13H18F3N3/c1-18-4-6-19(7-5-18)9-10-2-3-11(17)8-12(10)13(14,15)16/h2-3,8H,4-7,9,17H2,1H3

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Work with 4-(4-Methylpiperazinomethyl)-3-(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

4-Methyl-3-(trifluoromethyl)aniline65934-74-945 % similar 2,2'-Bis(trifluoromethyl)benzidine341-58-245 % similar 2-(Trifluoromethyl)benzene-1,4-diamine364-13-644 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-343 % similar 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline221198-99-843 % similar 5-Amino-2-methoxybenzotrifluoride393-15-742 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-442 % similar 4,4'-Oxybis[3-(trifluoromethyl)aniline]344-48-942 % similar

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

Elsewhere

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