1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine

C12H21NO2S — CID 103486697

IUPAC1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine
SMILESCCOCC(C)OC(c1ccsc1)C(C)N
InChIInChI=1S/C12H21NO2S/c1-4-14-7-9(2)15-12(10(3)13)11-5-6-16-8-11/h5-6,8-10,12H,4,7,13H2,1-3H3
InChIKeyFHJKUKCXUOQUQY-UHFFFAOYSA-N
MW243.37 g/mol
LogP2.58
Rot. Bonds7

About 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine

1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine (PubChem CID 103486697) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine
PubChem CID103486697
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine
SMILESCCOCC(C)OC(c1ccsc1)C(C)N
InChIInChI=1S/C12H21NO2S/c1-4-14-7-9(2)15-12(10(3)13)11-5-6-16-8-11/h5-6,8-10,12H,4,7,13H2,1-3H3
InChIKeyFHJKUKCXUOQUQY-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine (CID 103486697) is 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine is CCOCC(C)OC(c1ccsc1)C(C)N.
What is the InChIKey of 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine?
The InChIKey is FHJKUKCXUOQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-4-14-7-9(2)15-12(10(3)13)11-5-6-16-8-11/h5-6,8-10,12H,4,7,13H2,1-3H3.
What are the key properties of 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine?
1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine has a molecular weight of 243.37 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxypropan-2-yloxy)-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 103486697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).