2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

C15H19NO2S — CID 65352423

IUPAC2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(Cc1csc2ccccc12)C1COCCO1
InChIInChI=1S/C15H19NO2S/c1-16-13(14-9-17-6-7-18-14)8-11-10-19-15-5-3-2-4-12(11)15/h2-5,10,13-14,16H,6-9H2,1H3
InChIKeyBQSPSJJRXHYCQG-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.45
Rot. Bonds4

About 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine

2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (PubChem CID 65352423) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
PubChem CID65352423
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Name2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
SMILESCNC(Cc1csc2ccccc12)C1COCCO1
InChIInChI=1S/C15H19NO2S/c1-16-13(14-9-17-6-7-18-14)8-11-10-19-15-5-3-2-4-12(11)15/h2-5,10,13-14,16H,6-9H2,1H3
InChIKeyBQSPSJJRXHYCQG-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzothiophen-3-yl)-N-methyl-1-(1,4-oxathian-2-yl)ethanamine
CID 79963628
1-(1,4-dioxan-2-yl)-N-methyl-2-naphthalen-1-ylethanamine
CID 65352577
N-[2-(1-benzothiophen-3-yl)-1-(oxolan-2-yl)ethyl]propan-1-amine
CID 65328369
2-(1-benzothiophen-3-yl)-1-(4,4-difluorocyclohexyl)-N-methylethanamine
CID 105116915
2-(2,5-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 65352627
2-(1-benzothiophen-3-yl)-1-(oxolan-3-yl)ethanamine
CID 65330130
2-(1-benzothiophen-3-yl)-1-(1,1-dioxothian-2-yl)-N-methylethanamine
CID 115823929
1-(1-benzothiophen-3-yl)-N-methylbutan-2-amine
CID 63738839
2-(1-benzothiophen-3-yl)-1-(4-methylmorpholin-2-yl)ethanamine
CID 79092573
3-(1-benzothiophen-3-yl)-2-cyclopentyl-N-methylpropan-1-amine
CID 112569750
2-(3,4-difluorophenyl)-1-(1,4-dioxan-2-yl)-N-methylethanamine
CID 115875400
1-(1-benzothiophen-3-yl)-N-methyl-3-methylsulfanylpropan-2-amine
CID 63736738

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The IUPAC name of 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine (CID 65352423) is 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is CNC(Cc1csc2ccccc12)C1COCCO1.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
The InChIKey is BQSPSJJRXHYCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-16-13(14-9-17-6-7-18-14)8-11-10-19-15-5-3-2-4-12(11)15/h2-5,10,13-14,16H,6-9H2,1H3.
What are the key properties of 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine?
2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-1-(1,4-dioxan-2-yl)-N-methylethanamine is sourced from PubChem (CID 65352423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).