Milnacipran

C15H22N2OCAS 92623-85-3246.35 g/mol

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NONH2
AmidePrimary amine

Properties

Molecular formula
C15H22N2O
Molar mass
246.35 g/mol
Exact mass
246.1732 Da
logP
1.77Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
5
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
92623-85-3
SMILES
CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN
InChIKey
GJJFMKBJSRMPLA-UYWMCZCJNA-N
InChI
InChI=1/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/s2

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Names and synonyms

11 names
  • Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, (1R,2S)-rel-
  • Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-(±)-
  • Rel-(1R,2S)-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide
  • Midalcipran
  • Cyclopropanecarboxamide, 2-(aminomethyl)-N,N-diethyl-1-phenyl-, cis-
  • (±)-Milnacipran
  • (1R,2S)-Rel-2-(Aminomethyl)-N,N-diethyl-1-phenylcyclopropanecarboxamide
  • Milborn
  • Milnace
  • Impulsor
  • Avermilan

Work with Milnacipran

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Milnacipran hydrochloride101152-94-7Salt Levomilnacipran hydrochloride175131-60-9Salt

Similar compounds

1-Phenyl-2-oxo-3-oxabicyclo[3.1.0]hexane63106-93-440 % similar N,N-Diethylbenzamide1696-17-939 % similar Doxapram hydrochloride hydrate7081-53-038 % similar N,N-Diethyl-2,2,2-trifluoroacetamide360-92-935 % similar Centralite85-98-333 % similar (±)-Mephenytoin50-12-432 % similar N,N-Diethyl-2-hydroxybenzamide19311-91-232 % similar 2-Amino-2-phenylbutyric acid5438-07-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Mepivacaine22801-44-1 (-)-Sophocarpine6483-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook