1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine

C10H16BrNOS — CID 105165058

IUPAC1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1csc(Br)c1
InChIInChI=1S/C10H16BrNOS/c1-3-12-9(6-13-4-2)8-5-10(11)14-7-8/h5,7,9,12H,3-4,6H2,1-2H3
InChIKeyUYQXMPYKDRYMAQ-UHFFFAOYSA-N
MW278.22 g/mol
LogP3.20
Rot. Bonds6

About 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine

1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine (PubChem CID 105165058) has the molecular formula C10H16BrNOS and a molecular weight of 278.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
PubChem CID105165058
Molecular FormulaC10H16BrNOS
Molecular Weight278.22 g/mol
Exact Mass277.01
IUPAC Name1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)c1csc(Br)c1
InChIInChI=1S/C10H16BrNOS/c1-3-12-9(6-13-4-2)8-5-10(11)14-7-8/h5,7,9,12H,3-4,6H2,1-2H3
InChIKeyUYQXMPYKDRYMAQ-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromothiophen-3-yl)-2-propoxyethyl]propan-1-amine
CID 105165472
1-(5-bromothiophen-3-yl)-N-ethylhexan-1-amine
CID 105129603
2-(4-bromophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105089055
1-(4-bromo-3-chlorophenyl)-2-ethoxy-N-ethylethanamine
CID 105007854
1-(5-bromothiophen-3-yl)-N-ethyl-4-ethylsulfonylbutan-1-amine
CID 105152557
1-(5-bromothiophen-3-yl)-N-ethyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 105120871
1-(4-bromo-3-fluorophenyl)-2-ethoxy-N-ethylethanamine
CID 105008200
2-ethoxy-N-ethyl-1-(5-methylfuran-3-yl)ethanamine
CID 105008082
2-(3-bromo-4-methoxyphenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105110896
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 105133699
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)-N-ethylethanamine
CID 105131858
1-(5-bromothiophen-3-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 105095783

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine (CID 105165058) is 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)c1csc(Br)c1.
What is the InChIKey of 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine?
The InChIKey is UYQXMPYKDRYMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-3-12-9(6-13-4-2)8-5-10(11)14-7-8/h5,7,9,12H,3-4,6H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine?
1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine has a molecular weight of 278.22 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-3-yl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105165058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).