2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

C13H20BrClN2OS — CID 106586432

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(C(CN)c2cc(Br)c(Cl)s2)C1
InChIInChI=1S/C13H20BrClN2OS/c1-18-8-9-3-2-4-17(7-9)11(6-16)12-5-10(14)13(15)19-12/h5,9,11H,2-4,6-8,16H2,1H3
InChIKeyXRXRQAYXUTZXHJ-UHFFFAOYSA-N
MW367.74 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine

2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (PubChem CID 106586432) has the molecular formula C13H20BrClN2OS and a molecular weight of 367.74 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
PubChem CID106586432
Molecular FormulaC13H20BrClN2OS
Molecular Weight367.74 g/mol
Exact Mass366.02
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
SMILESCOCC1CCCN(C(CN)c2cc(Br)c(Cl)s2)C1
InChIInChI=1S/C13H20BrClN2OS/c1-18-8-9-3-2-4-17(7-9)11(6-16)12-5-10(14)13(15)19-12/h5,9,11H,2-4,6-8,16H2,1H3
InChIKeyXRXRQAYXUTZXHJ-UHFFFAOYSA-N
XLogP3.52
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
2-(5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586033
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586275
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 102838519
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839252
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-[3-(methoxymethyl)piperidin-1-yl]-2-(4-propan-2-ylphenyl)ethanamine
CID 106586372
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanamine
CID 102838938
2-[4-(difluoromethyl)phenyl]-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586267
2-(3-bromo-4-methylphenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 105405028
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 102839158

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine (CID 106586432) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is COCC1CCCN(C(CN)c2cc(Br)c(Cl)s2)C1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is XRXRQAYXUTZXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrClN2OS/c1-18-8-9-3-2-4-17(7-9)11(6-16)12-5-10(14)13(15)19-12/h5,9,11H,2-4,6-8,16H2,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine?
2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 367.74 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 106586432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).