1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine

C12H13Br2NOS — CID 107968942

IUPAC1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1cc(Br)sc1Br
InChIInChI=1S/C12H13Br2NOS/c1-2-15-10(5-8-3-4-16-7-8)9-6-11(13)17-12(9)14/h3-4,6-7,10,15H,2,5H2,1H3
InChIKeyYSWNPHRJPGDIJL-UHFFFAOYSA-N
MW379.12 g/mol
LogP4.76
Rot. Bonds5

About 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine

1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine (PubChem CID 107968942) has the molecular formula C12H13Br2NOS and a molecular weight of 379.12 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
PubChem CID107968942
Molecular FormulaC12H13Br2NOS
Molecular Weight379.12 g/mol
Exact Mass376.91
IUPAC Name1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1cc(Br)sc1Br
InChIInChI=1S/C12H13Br2NOS/c1-2-15-10(5-8-3-4-16-7-8)9-6-11(13)17-12(9)14/h3-4,6-7,10,15H,2,5H2,1H3
InChIKeyYSWNPHRJPGDIJL-UHFFFAOYSA-N
XLogP4.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.12
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(furan-3-yl)-N-methylethanamine
CID 107968943
2-(4-chlorophenyl)-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493168
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 107967940
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029716
N-ethyl-1-(2-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83175625
N-ethyl-1-(2-fluoro-4-methylphenyl)-2-(furan-3-yl)ethanamine
CID 105030020
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
N-ethyl-2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanamine
CID 105029983
N-ethyl-2-(furan-3-yl)-1-naphthalen-1-ylethanamine
CID 83176025
N-[1-(2,5-dibromothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497935
1-(2,3-difluorophenyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105029849
N-ethyl-1-(5-ethylfuran-2-yl)-2-(furan-3-yl)ethanamine
CID 105029929

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine (CID 107968942) is 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine is CCNC(Cc1ccoc1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine?
The InChIKey is YSWNPHRJPGDIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2NOS/c1-2-15-10(5-8-3-4-16-7-8)9-6-11(13)17-12(9)14/h3-4,6-7,10,15H,2,5H2,1H3.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine?
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine has a molecular weight of 379.12 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 107968942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).