ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate

C10H14BrNO2S — CID 60999850

IUPACethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-3-14-10(13)6-12-7(2)8-4-5-9(11)15-8/h4-5,7,12H,3,6H2,1-2H3
InChIKeyZAHIDFIJGSJIGQ-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.72
Rot. Bonds5

About ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate

ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate (PubChem CID 60999850) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate
PubChem CID60999850
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Nameethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1ccc(Br)s1
InChIInChI=1S/C10H14BrNO2S/c1-3-14-10(13)6-12-7(2)8-4-5-9(11)15-8/h4-5,7,12H,3,6H2,1-2H3
InChIKeyZAHIDFIJGSJIGQ-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl (5-bromothiophene-2-carbonyl)glycinate
CID 2225106
Methyl n-((4-bromothiophen-2-yl)methyl)-n-methylglycinate
CID 51081645
Methyl (thiophen-2-ylmethyl)glycinate
CID 11332886
2-{[1-(5-Bromothiophen-2-yl)ethyl]amino}ethan-1-ol
CID 61000307
2-(5-Bromothiophen-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 4226682
methyl (2S)-2-[(3-bromothiophen-2-yl)methylamino]propanoate
CID 93966236
ethyl (2S)-2-[(3-bromothiophen-2-yl)methylamino]propanoate
CID 93966239
Methyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 61347012
Ethyl 2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)acetate
CID 61347013
N-[(5-bromothiophen-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490641
1-(5-bromothiophen-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63826948
N-[(5-bromothiophen-2-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65805390

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate (CID 60999850) is ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate is CCOC(=O)CNC(C)c1ccc(Br)s1.
What is the InChIKey of ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate?
The InChIKey is ZAHIDFIJGSJIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-14-10(13)6-12-7(2)8-4-5-9(11)15-8/h4-5,7,12H,3,6H2,1-2H3.
What are the key properties of ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate?
ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate has a molecular weight of 292.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(5-bromothiophen-2-yl)ethylamino]acetate is sourced from PubChem (CID 60999850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).