2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine

C11H18ClNO2S — CID 103486985

IUPAC2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine
SMILESCCOCC(C)OC(CN)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S/c1-3-14-7-8(2)15-9(6-13)10-4-5-11(12)16-10/h4-5,8-9H,3,6-7,13H2,1-2H3
InChIKeyJLDVMTMIIRVYIC-UHFFFAOYSA-N
MW263.79 g/mol
LogP2.84
Rot. Bonds7

About 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine

2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine (PubChem CID 103486985) has the molecular formula C11H18ClNO2S and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine
PubChem CID103486985
Molecular FormulaC11H18ClNO2S
Molecular Weight263.79 g/mol
Exact Mass263.07
IUPAC Name2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine
SMILESCCOCC(C)OC(CN)c1ccc(Cl)s1
InChIInChI=1S/C11H18ClNO2S/c1-3-14-7-8(2)15-9(6-13)10-4-5-11(12)16-10/h4-5,8-9H,3,6-7,13H2,1-2H3
InChIKeyJLDVMTMIIRVYIC-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine (CID 103486985) is 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine is CCOCC(C)OC(CN)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
The InChIKey is JLDVMTMIIRVYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2S/c1-3-14-7-8(2)15-9(6-13)10-4-5-11(12)16-10/h4-5,8-9H,3,6-7,13H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine?
2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine has a molecular weight of 263.79 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-(1-ethoxypropan-2-yloxy)ethanamine is sourced from PubChem (CID 103486985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).