N-(2-Amino-4-trifluoromethylphenyl)piperidine

C₁₂H₁₅F₃N₂CAS 1496-40-8244.26 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Tertiary amine

Properties

Molecular formula: C₁₂H₁₅F₃N₂
Molar mass: 244.26 g/mol
Exact mass: 244.1187 Da
logP: 3.28Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed80% of notifiers
H302 Harmful if swallowed20% of notifiers
H311 Toxic in contact with skin80% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled80% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1496-40-8

SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)N

InChIKey

BERRRZOJDANPHE-UHFFFAOYSA-N

InChI

InChI=1S/C12H15F3N2/c13-12(14,15)9-4-5-11(10(16)8-9)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7,16H2

Weigh it out

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

Names and synonyms

1 names

2-(Piperidin-1-yl)-5-(trifluoromethyl)aniline

Work with N-(2-Amino-4-trifluoromethylphenyl)piperidine

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

2-(Pyrrolidin-1-yl)-5-(trifluoromethyl)aniline133184-80-297 % similar 3-Amino-4-(4-morpholino)benzotrifluoride784-57-673 % similar 3,4-Diaminobenzotrifluoride368-71-853 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine40832-82-452 % similar 2,5-Bis(trifluoromethyl)aniline328-93-850 % similar 2-(Piperidin-1-yl)aniline39643-31-750 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-449 % 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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