3-Amino-4-(isopropylamino)benzotrifluoride

C₁₀H₁₃F₃N₂CAS 175277-91-5218.22 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Secondary amine

Properties

Molecular formula: C₁₀H₁₃F₃N₂
Molar mass: 218.22 g/mol
Exact mass: 218.1031 Da
logP: 3.11Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

175277-91-5

SMILES

CC(C)NC1=C(C=C(C=C1)C(F)(F)F)N

InChIKey

ZNVHJHXDEMIHDL-UHFFFAOYSA-N

InChI

InChI=1S/C10H13F3N2/c1-6(2)15-9-4-3-7(5-8(9)14)10(11,12)13/h3-6,15H,14H2,1-2H3

Weigh it out

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Work with 3-Amino-4-(isopropylamino)benzotrifluoride

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-Isopropyl-2-nitro-4-(trifluoromethyl)aniline175277-90-455 % similar 3,4-Diaminobenzotrifluoride368-71-853 % similar 2-Methyl-5-(trifluoromethyl)aniline25449-96-151 % similar 2,5-Bis(trifluoromethyl)aniline328-93-850 % similar 2-Methoxy-5-(trifluoromethyl)aniline349-65-549 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-449 % similar 3-Amino-4-(methylthio)benzotrifluoride207974-07-048 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-647 % similar

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

Elsewhere

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