1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine

C11H15BrClNS — CID 80530689

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
SMILESNC(CC1CCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H15BrClNS/c12-11-8(13)6-10(15-11)9(14)5-7-3-1-2-4-7/h6-7,9H,1-5,14H2
InChIKeyGHQHHAXKOVTPEV-UHFFFAOYSA-N
MW308.67 g/mol
LogP4.74
Rot. Bonds3

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine

1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine (PubChem CID 80530689) has the molecular formula C11H15BrClNS and a molecular weight of 308.67 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
PubChem CID80530689
Molecular FormulaC11H15BrClNS
Molecular Weight308.67 g/mol
Exact Mass306.98
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
SMILESNC(CC1CCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C11H15BrClNS/c12-11-8(13)6-10(15-11)9(14)5-7-3-1-2-4-7/h6-7,9H,1-5,14H2
InChIKeyGHQHHAXKOVTPEV-UHFFFAOYSA-N
XLogP4.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine (CID 80530689) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine is NC(CC1CCCC1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine?
The InChIKey is GHQHHAXKOVTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNS/c12-11-8(13)6-10(15-11)9(14)5-7-3-1-2-4-7/h6-7,9H,1-5,14H2.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine has a molecular weight of 308.67 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine is sourced from PubChem (CID 80530689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).