N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine

C11H11Br2NOS — CID 62084292

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1cc(Br)c(Br)o1)c1cccs1
InChIInChI=1S/C11H11Br2NOS/c1-7(10-3-2-4-16-10)14-6-8-5-9(12)11(13)15-8/h2-5,7,14H,6H2,1H3
InChIKeyFYZSPUCRODKUMH-UHFFFAOYSA-N
MW365.09 g/mol
LogP4.72
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine

N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 62084292) has the molecular formula C11H11Br2NOS and a molecular weight of 365.09 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine
PubChem CID62084292
Molecular FormulaC11H11Br2NOS
Molecular Weight365.09 g/mol
Exact Mass362.89
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine
SMILESCC(NCc1cc(Br)c(Br)o1)c1cccs1
InChIInChI=1S/C11H11Br2NOS/c1-7(10-3-2-4-16-10)14-6-8-5-9(12)11(13)15-8/h2-5,7,14H,6H2,1H3
InChIKeyFYZSPUCRODKUMH-UHFFFAOYSA-N
XLogP4.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[(4-bromothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 28833552
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621
(1S)-N-[(4-bromo-3-methylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398523
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 62083622
N-(1,2-oxazol-5-ylmethyl)-1-thiophen-2-ylethanamine
CID 103605426
N-[(3-bromo-4-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 83235526
(1S)-N-[(2-bromo-5-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81399052
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 115723278
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-N-[(3,5-dimethylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398150
N-[(4-chlorothiophen-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 79420654

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine (CID 62084292) is N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine is CC(NCc1cc(Br)c(Br)o1)c1cccs1.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine?
The InChIKey is FYZSPUCRODKUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NOS/c1-7(10-3-2-4-16-10)14-6-8-5-9(12)11(13)15-8/h2-5,7,14H,6H2,1H3.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine?
N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 365.09 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62084292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).