2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine

C11H16BrClN2S — CID 102838519

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H16BrClN2S/c1-7-3-2-4-15(7)9(6-14)10-5-8(12)11(13)16-10/h5,7,9H,2-4,6,14H2,1H3
InChIKeyLUIJMVPNCQCEJJ-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.65
Rot. Bonds3

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine (PubChem CID 102838519) has the molecular formula C11H16BrClN2S and a molecular weight of 323.69 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
PubChem CID102838519
Molecular FormulaC11H16BrClN2S
Molecular Weight323.69 g/mol
Exact Mass321.99
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine
SMILESCC1CCCN1C(CN)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H16BrClN2S/c1-7-3-2-4-15(7)9(6-14)10-5-8(12)11(13)16-10/h5,7,9H,2-4,6,14H2,1H3
InChIKeyLUIJMVPNCQCEJJ-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanamine
CID 102839907
2-(4-bromo-5-chlorothiophen-2-yl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 102838082
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanamine
CID 102838895
2-(4-bromo-5-chlorothiophen-2-yl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanamine
CID 106586432
2-(5-chlorothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43146867
2-(4-bromothiophen-2-yl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 43123628
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
2-(4-bromo-5-methylthiophen-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 102839059
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839252
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-(4-bromo-5-methylthiophen-2-yl)ethanamine
CID 102839817
2-(3,4-dichlorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881976

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine (CID 102838519) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine is CC1CCCN1C(CN)c1cc(Br)c(Cl)s1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is LUIJMVPNCQCEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2S/c1-7-3-2-4-15(7)9(6-14)10-5-8(12)11(13)16-10/h5,7,9H,2-4,6,14H2,1H3.
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine?
2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 323.69 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 102838519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).