2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine

C13H21ClN2OS — CID 54984060

IUPAC2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
SMILESCCC1COC(C)CN1C(CN)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-3-10-8-17-9(2)7-16(10)11(6-15)12-4-5-13(14)18-12/h4-5,9-11H,3,6-8,15H2,1-2H3
InChIKeyKWMOLDBWAQWZNB-UHFFFAOYSA-N
MW288.84 g/mol
LogP2.90
Rot. Bonds4

About 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine

2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine (PubChem CID 54984060) has the molecular formula C13H21ClN2OS and a molecular weight of 288.84 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
PubChem CID54984060
Molecular FormulaC13H21ClN2OS
Molecular Weight288.84 g/mol
Exact Mass288.11
IUPAC Name2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
SMILESCCC1COC(C)CN1C(CN)c1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2OS/c1-3-10-8-17-9(2)7-16(10)11(6-15)12-4-5-13(14)18-12/h4-5,9-11H,3,6-8,15H2,1-2H3
InChIKeyKWMOLDBWAQWZNB-UHFFFAOYSA-N
XLogP2.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.84
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2-methylmorpholin-4-yl)-2-thiophen-2-ylethanamine
CID 54984103
2-(4-chlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
CID 61424086
2-(3,5-dichlorophenyl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine
CID 61424175
2-(5-ethyl-2-methylmorpholin-4-yl)-2-(6-methyl-3-pyridinyl)ethanamine
CID 104822188
2-(5-chlorothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562503
2-(5-chlorothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43146867
1-[2-amino-1-(5-chlorothiophen-2-yl)ethyl]-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66054405
2-(5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603631
3-amino-2-(5-ethyl-2-methylmorpholin-4-yl)propan-1-ol
CID 104710882
3-(5-ethyl-2-methylmorpholin-4-yl)-3-phenylpropanethioamide
CID 62780102
2-(5-ethylthiophen-2-yl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62345916
3-(5-ethyl-2-methylmorpholin-4-yl)pentan-1-amine
CID 43575822

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine (CID 54984060) is 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine is CCC1COC(C)CN1C(CN)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine?
The InChIKey is KWMOLDBWAQWZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2OS/c1-3-10-8-17-9(2)7-16(10)11(6-15)12-4-5-13(14)18-12/h4-5,9-11H,3,6-8,15H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-methylmorpholin-4-yl)ethanamine has a molecular weight of 288.84 g/mol, XLogP of 2.90, 4 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-(5-ethyl-2-methylmorpholin-4-yl)ethanamine is sourced from PubChem (CID 54984060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).