2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine

C10H15BrN2S — CID 83665520

IUPAC2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CCCC1c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2S/c11-10-4-3-9(14-10)8-2-1-6-13(8)7-5-12/h3-4,8H,1-2,5-7,12H2
InChIKeyIOZGLANOPFQWSR-UHFFFAOYSA-N
MW275.21 g/mol
LogP2.61
Rot. Bonds3

About 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine

2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine (PubChem CID 83665520) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine
PubChem CID83665520
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine
SMILESNCCN1CCCC1c1ccc(Br)s1
InChIInChI=1S/C10H15BrN2S/c11-10-4-3-9(14-10)8-2-1-6-13(8)7-5-12/h3-4,8H,1-2,5-7,12H2
InChIKeyIOZGLANOPFQWSR-UHFFFAOYSA-N
XLogP2.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine?
The IUPAC name of 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine (CID 83665520) is 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine?
The canonical SMILES for 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine is NCCN1CCCC1c1ccc(Br)s1.
What is the InChIKey of 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine?
The InChIKey is IOZGLANOPFQWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2S/c11-10-4-3-9(14-10)8-2-1-6-13(8)7-5-12/h3-4,8H,1-2,5-7,12H2.
What are the key properties of 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine?
2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine has a molecular weight of 275.21 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromothiophen-2-yl)pyrrolidin-1-yl]ethanamine is sourced from PubChem (CID 83665520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).