3-Fluoro-4-(4-methylpiperazin-1-yl)aniline

C₁₁H₁₆FN₃CAS 221198-99-8209.27 g/mol

Open in Covalent MOL file

Aryl halide Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₆FN₃
Molar mass: 209.27 g/mol
Exact mass: 209.1328 Da
logP: 1.16Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H318 Causes serious eye damage100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

221198-99-8

SMILES

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

InChIKey

GOPUCAPKOUZKPS-UHFFFAOYSA-N

InChI

InChI=1S/C11H16FN3/c1-14-4-6-15(7-5-14)11-3-2-9(13)8-10(11)12/h2-3,8H,4-7,13H2,1H3

Weigh it out

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

Work with 3-Fluoro-4-(4-methylpiperazin-1-yl)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-Fluoro-4-morpholinoaniline93246-53-865 % similar 4-(4-Methylpiperazin-1-yl)aniline16153-81-453 % similar 2-(4-Methylpiperazin-1-yl)aniline180605-36-146 % similar 3,4-Difluoroaniline3863-11-444 % similar 1-(2,4-Difluorophenyl)piperazine115761-79-044 % similar 3-Fluoro-4-methylaniline452-77-743 % similar 4-(4-Methylpiperazinomethyl)-3-(trifluoromethyl)aniline694499-26-843 % similar 3-Fluoro-4-methoxyaniline366-99-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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