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

C₁₁H₁₃F₃N₂CAS 133184-80-2230.23 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₃F₃N₂
Molar mass: 230.23 g/mol
Exact mass: 230.1031 Da
logP: 2.89Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

133184-80-2

SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(F)(F)F)N

InChIKey

HPDFKXPVMXSXGE-UHFFFAOYSA-N

InChI

InChI=1S/C11H13F3N2/c12-11(13,14)8-3-4-10(9(15)7-8)16-5-1-2-6-16/h3-4,7H,1-2,5-6,15H2

Weigh it out

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

Names and synonyms

1 names

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

Work with 2-(Pyrrolidin-1-yl)-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

N-(2-Amino-4-trifluoromethylphenyl)piperidine1496-40-897 % similar 3-Amino-4-(4-morpholino)benzotrifluoride784-57-675 % similar 3,4-Diaminobenzotrifluoride368-71-855 % similar N-[2-Nitro-4-(trifluoromethyl)phenyl]pyrrolidine40832-82-453 % similar 2,5-Bis(trifluoromethyl)aniline328-93-851 % similar 2-Fluoro-5-(trifluoromethyl)aniline535-52-450 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-649 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-[3-(Trifluoromethyl)phenyl]piperazine15532-75-9 1-(4-(Trifluoromethyl)phenyl)piperazine30459-17-7 1-[2-(Trifluoromethyl)phenyl]piperazine63854-31-9

Elsewhere

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