2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine

C12H21NO2S — CID 103486876

IUPAC2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCCOCC(C)OC(CN)c1sccc1C
InChIInChI=1S/C12H21NO2S/c1-4-14-8-10(3)15-11(7-13)12-9(2)5-6-16-12/h5-6,10-11H,4,7-8,13H2,1-3H3
InChIKeyQUYBTJRXPVJLDB-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.50
Rot. Bonds7

About 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine

2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine (PubChem CID 103486876) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine
PubChem CID103486876
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine
SMILESCCOCC(C)OC(CN)c1sccc1C
InChIInChI=1S/C12H21NO2S/c1-4-14-8-10(3)15-11(7-13)12-9(2)5-6-16-12/h5-6,10-11H,4,7-8,13H2,1-3H3
InChIKeyQUYBTJRXPVJLDB-UHFFFAOYSA-N
XLogP2.50
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine (CID 103486876) is 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine is CCOCC(C)OC(CN)c1sccc1C.
What is the InChIKey of 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is QUYBTJRXPVJLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-14-8-10(3)15-11(7-13)12-9(2)5-6-16-12/h5-6,10-11H,4,7-8,13H2,1-3H3.
What are the key properties of 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine?
2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 243.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxypropan-2-yloxy)-2-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 103486876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).