2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine

C11H16BrNO — CID 83844270

IUPAC2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine
SMILESNCCc1cc(Br)c(C2CCCC2)o1
InChIInChI=1S/C11H16BrNO/c12-10-7-9(5-6-13)14-11(10)8-3-1-2-4-8/h7-8H,1-6,13H2
InChIKeyXGHJYRRCWFVWOC-UHFFFAOYSA-N
MW258.16 g/mol
LogP3.20
Rot. Bonds3

About 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine

2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine (PubChem CID 83844270) has the molecular formula C11H16BrNO and a molecular weight of 258.16 g/mol. Its IUPAC name is 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine
PubChem CID83844270
Molecular FormulaC11H16BrNO
Molecular Weight258.16 g/mol
Exact Mass257.04
IUPAC Name2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine
SMILESNCCc1cc(Br)c(C2CCCC2)o1
InChIInChI=1S/C11H16BrNO/c12-10-7-9(5-6-13)14-11(10)8-3-1-2-4-8/h7-8H,1-6,13H2
InChIKeyXGHJYRRCWFVWOC-UHFFFAOYSA-N
XLogP3.20
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine?
The IUPAC name of 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine (CID 83844270) is 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine is NCCc1cc(Br)c(C2CCCC2)o1.
What is the InChIKey of 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine?
The InChIKey is XGHJYRRCWFVWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO/c12-10-7-9(5-6-13)14-11(10)8-3-1-2-4-8/h7-8H,1-6,13H2.
What are the key properties of 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine?
2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine has a molecular weight of 258.16 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine is sourced from PubChem (CID 83844270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).