3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine

C18H20N2OS — CID 135145378

IUPAC3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CCC(Oc1cccc2cnccc12)c1cccs1
InChIInChI=1S/C18H20N2OS/c1-20(2)11-9-17(18-7-4-12-22-18)21-16-6-3-5-14-13-19-10-8-15(14)16/h3-8,10,12-13,17H,9,11H2,1-2H3
InChIKeyMRFWCXUEQACNJT-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.37
Rot. Bonds6

About 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine

3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine (PubChem CID 135145378) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
PubChem CID135145378
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine
SMILESCN(C)CCC(Oc1cccc2cnccc12)c1cccs1
InChIInChI=1S/C18H20N2OS/c1-20(2)11-9-17(18-7-4-12-22-18)21-16-6-3-5-14-13-19-10-8-15(14)16/h3-8,10,12-13,17H,9,11H2,1-2H3
InChIKeyMRFWCXUEQACNJT-UHFFFAOYSA-N
XLogP4.37
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The IUPAC name of 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine (CID 135145378) is 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine.
What is the SMILES notation for 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The canonical SMILES for 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine is CN(C)CCC(Oc1cccc2cnccc12)c1cccs1.
What is the InChIKey of 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
The InChIKey is MRFWCXUEQACNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-20(2)11-9-17(18-7-4-12-22-18)21-16-6-3-5-14-13-19-10-8-15(14)16/h3-8,10,12-13,17H,9,11H2,1-2H3.
What are the key properties of 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine?
3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine has a molecular weight of 312.44 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-yloxy-N,N-dimethyl-3-thiophen-2-ylpropan-1-amine is sourced from PubChem (CID 135145378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).