Molecular Identity
Atomoxetine
(3R)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine
PubChem CID: 54841
Atomoxetine is a secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. It has a role as an antidepressant, an adrenergic uptake inhibitor, a xenobiotic and an environmental contaminant. It is a member of toluenes, an aromatic ether and a secondary amino compound.
2D Structure
Properties
C17H21NO
Molecular Formula
255.35
Molecular Weight
g/mol
255.1623
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
21.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
237
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2Isomeric SMILES
SMILES: CC1=CC=CC=C1O[C@H](CCNC)C2=CC=CC=C2Synonyms(20)
Atomoxetine83015-26-3Tomoxetine(-)-TomoxetineTomoxetinaTomoxetinumTomoxetinum [Latin]AtomoxetinaASW034S0B8methyl[(3R)-3-(2-methylphenoxy)-3-phenylpropyl]amineDTXSID9044297Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, (gammaR)-CHEBI:127342AD313 COMPONENT ATOMOXETINEAD-313 COMPONENT ATOMOXETINE
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Atomoxetine
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