2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine

C13H21BrN2OS — CID 54985530

IUPAC2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
SMILESCCOC1CCCN(C(CN)c2ccc(Br)s2)C1
InChIInChI=1S/C13H21BrN2OS/c1-2-17-10-4-3-7-16(9-10)11(8-15)12-5-6-13(14)18-12/h5-6,10-11H,2-4,7-9,15H2,1H3
InChIKeyZQYJSJULYGCKSR-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.01
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine (PubChem CID 54985530) has the molecular formula C13H21BrN2OS and a molecular weight of 333.30 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
PubChem CID54985530
Molecular FormulaC13H21BrN2OS
Molecular Weight333.30 g/mol
Exact Mass332.06
IUPAC Name2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine
SMILESCCOC1CCCN(C(CN)c2ccc(Br)s2)C1
InChIInChI=1S/C13H21BrN2OS/c1-2-17-10-4-3-7-16(9-10)11(8-15)12-5-6-13(14)18-12/h5-6,10-11H,2-4,7-9,15H2,1H3
InChIKeyZQYJSJULYGCKSR-UHFFFAOYSA-N
XLogP3.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
2-(4-bromophenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 54985342
2-(5-bromothiophen-2-yl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 54983881
2-(3-ethoxypiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 54985150
2-(5-bromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 63603804
2-(3-ethoxypiperidin-1-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136337
2-(5-bromothiophen-2-yl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562446
2-(3-ethoxypiperidin-1-yl)-2-pyridin-2-ylethanamine
CID 54985578
2-(3-chloro-4-methylphenyl)-2-(3-ethoxypiperidin-1-yl)ethanamine
CID 106817344
2-(5-bromothiophen-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 61215775
1-(5-bromothiophen-2-yl)sulfonyl-3-ethoxypiperidine
CID 54990170
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine (CID 54985530) is 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine is CCOC1CCCN(C(CN)c2ccc(Br)s2)C1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
The InChIKey is ZQYJSJULYGCKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN2OS/c1-2-17-10-4-3-7-16(9-10)11(8-15)12-5-6-13(14)18-12/h5-6,10-11H,2-4,7-9,15H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine has a molecular weight of 333.30 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(3-ethoxypiperidin-1-yl)ethanamine is sourced from PubChem (CID 54985530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).