2-(4-Methylpiperazin-1-yl)aniline

C₁₁H₁₇N₃CAS 180605-36-1191.28 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₇N₃
Molar mass: 191.28 g/mol
Exact mass: 191.1422 Da
logP: 1.02Crippen estimate
Polar surface area: 32.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

180605-36-1

SMILES

CN1CCN(CC1)C2=CC=CC=C2N

InChIKey

INWHDRNGZMHXEZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H17N3/c1-13-6-8-14(9-7-13)11-5-3-2-4-10(11)12/h2-5H,6-9,12H2,1H3

Weigh it out

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

Work with 2-(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

2-(Piperidin-1-yl)aniline39643-31-763 % similar (2-(4-Methylpiperazin-1-yl)phenyl)methanol123987-12-254 % similar 3-Fluoro-4-(4-methylpiperazin-1-yl)aniline221198-99-846 % similar [4-(4-Methylpiperazin-1-yl)phenyl]methanamine216144-45-541 % similar 5-(4-Methylpiperazin-1-yl)-2-nitroaniline23491-48-740 % similar 3-(4-Methyl-1-piperazinyl)benzenemethanamine672325-37-040 % similar 2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline155584-74-039 % similar Cyclizine82-92-839 % similar

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

Same formula

4-(4-Methylpiperazin-1-yl)aniline16153-81-4

Elsewhere

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