1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine

C13H22N2OS — CID 55021955

IUPAC1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine
SMILESCCC1COCCN1C(c1cccs1)C(C)N
InChIInChI=1S/C13H22N2OS/c1-3-11-9-16-7-6-15(11)13(10(2)14)12-5-4-8-17-12/h4-5,8,10-11,13H,3,6-7,9,14H2,1-2H3
InChIKeyJANODTWLVNKPCV-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.25
Rot. Bonds4

About 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine

1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine (PubChem CID 55021955) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine.

Molecular Properties

Compound Name1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine
PubChem CID55021955
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine
SMILESCCC1COCCN1C(c1cccs1)C(C)N
InChIInChI=1S/C13H22N2OS/c1-3-11-9-16-7-6-15(11)13(10(2)14)12-5-4-8-17-12/h4-5,8,10-11,13H,3,6-7,9,14H2,1-2H3
InChIKeyJANODTWLVNKPCV-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethylmorpholin-4-yl)-1-phenylpropan-2-amine
CID 55017138
1-(3-ethylmorpholin-4-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020122
4-(2-amino-1-thiophen-2-ylpropyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098163
2-(3-ethylmorpholin-4-yl)-3-methyl-1-phenylbutan-1-amine
CID 43613063
(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-amine
CID 51862509
[1-(2-methyl-1-thiophen-2-ylpropyl)pyrrolidin-2-yl]methanamine
CID 115311559
4-(2-amino-1-thiophen-2-ylpropyl)-3-ethylpiperazine-2,6-dione
CID 66068677
3-(3-ethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618747
2-(3-ethylmorpholin-4-yl)pentan-1-amine
CID 43612958
2-(5-ethyl-2-methylmorpholin-4-yl)-2-thiophen-2-ylethanamine
CID 54984103
1-(2-amino-1-thiophen-2-ylpropyl)pyrrolidine-2-carboxamide
CID 55021902
3-ethyl-N-(2-methyl-3-thiophen-2-ylpropyl)morpholine-4-carboxamide
CID 71867990

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine?
The IUPAC name of 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine (CID 55021955) is 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine.
What is the SMILES notation for 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine?
The canonical SMILES for 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine is CCC1COCCN1C(c1cccs1)C(C)N.
What is the InChIKey of 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine?
The InChIKey is JANODTWLVNKPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-3-11-9-16-7-6-15(11)13(10(2)14)12-5-4-8-17-12/h4-5,8,10-11,13H,3,6-7,9,14H2,1-2H3.
What are the key properties of 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine?
1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine has a molecular weight of 254.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylmorpholin-4-yl)-1-thiophen-2-ylpropan-2-amine is sourced from PubChem (CID 55021955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).