chempirical

(R)-Duloxetine

C18H19NOSCAS 116539-60-7297.42 g/mol

Open in Covalent MOL file
HNOS
EtherSecondary amine

Properties

Molecular formula
C18H19NOS
Molar mass
297.42 g/mol
Exact mass
297.1187 Da
logP
4.63Crippen estimate
Polar surface area
21.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
116539-60-7
SMILES
CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1
InChIKey
ZEUITGRIYCTCEM-QGZVFWFLSA-N
InChI
InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 2-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, (γR)-
  • 2-Thiophenepropanamine, N-methyl-γ-(1-naphthalenyloxy)-, (R)-
  • (γR)-N-Methyl-γ-(1-naphthalenyloxy)-2-thiophenepropanamine
  • (R)-N-Methyl-3-(1-naphthoxy)-3-(2-thienyl)propylamine
  • (3R)-N-Methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine
  • (-)-Duloxetine

Work with (R)-Duloxetine

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.

Duloxetine116539-59-4Enantiomer Duloxetine hydrochloride136434-34-9Salt, enantiomer

Similar compounds

(S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine132335-46-769 % similar (S)-(+)-N,N-Dimethyl-3-(1-naphthalenyloxy)-3-(2-thienyl)propanamine oxalate132335-47-858 % similar (αS)-α-[2-(Methylamino)ethyl]-2-thiophenemethanol116539-55-048 % similar Atomoxetine83015-26-344 % similar Atomoxetine hydrochloride82248-59-742 % similar N-Methyl-1-naphthalenemethanamine14489-75-938 % similar 1-Ethoxynaphthalene5328-01-838 % similar N-Methyl-N-naphthylmethylamine hydrochloride65473-13-436 % similar

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

Same formula

4-[3-(Methylamino)-1-(2-thienyl)propyl]-1-naphthalenol949095-98-1

Elsewhere

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