(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride

C18H20ClNOS — CID 23656722

IUPAC(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC[C@@H](Oc1cccc2ccccc12)c1cccs1.Cl
InChIInChI=1S/C18H19NOS.ClH/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;1H/t17-;/m1./s1
InChIKeyBFFSMCNJSOPUAY-UNTBIKODSA-N
MW333.88 g/mol
LogP5.05
Rot. Bonds6

About (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride

(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride (PubChem CID 23656722) has the molecular formula C18H20ClNOS and a molecular weight of 333.88 g/mol. Its IUPAC name is (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
PubChem CID23656722
Molecular FormulaC18H20ClNOS
Molecular Weight333.88 g/mol
Exact Mass333.10
IUPAC Name(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride
SMILESCNCC[C@@H](Oc1cccc2ccccc12)c1cccs1.Cl
InChIInChI=1S/C18H19NOS.ClH/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;1H/t17-;/m1./s1
InChIKeyBFFSMCNJSOPUAY-UNTBIKODSA-N
XLogP5.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.88
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Duloxetine
CID 60835
Duloxetine Hydrochloride
CID 60834
4-((1S)-3-(Methylamino)-1-(2-thienyl)propoxy)-1-naphthalenol
CID 29981497
(+-)-Duloxetine
CID 122252
5-((S)-3-Methylamino-1-thiophen-2-yl-propoxy)-naphthalen-2-ol
CID 10086952
5-Hydroxy-6-methoxy duloxetine
CID 29981679
5-[(1S)-3-(Methylamino)-1-(thiophen-2-yl)propoxy]naphthalene-1,2-diol
CID 44344115
5-Hydroxyduloxetine
CID 44344235
(S)-Norduloxetine
CID 10107888
(R)-Duloxetine
CID 10334821
R-Norduloxetine
CID 46227262
(3S)-3-[(7-fluoro-1-benzothiophen-4-yl)oxy]-N-methyl-3-phenylpropan-1-amine
CID 9903115

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The IUPAC name of (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride (CID 23656722) is (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The canonical SMILES for (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride is CNCC[C@@H](Oc1cccc2ccccc12)c1cccs1.Cl.
What is the InChIKey of (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride?
The InChIKey is BFFSMCNJSOPUAY-UNTBIKODSA-N. The full InChI is InChI=1S/C18H19NOS.ClH/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;1H/t17-;/m1./s1.
What are the key properties of (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride?
(3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride has a molecular weight of 333.88 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-naphthalen-1-yloxy-3-thiophen-2-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 23656722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).