2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine

C11H11Br2NOS — CID 115732892

IUPAC2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
SMILESBrc1csc(CNCCc2ccc(Br)o2)c1
InChIInChI=1S/C11H11Br2NOS/c12-8-5-10(16-7-8)6-14-4-3-9-1-2-11(13)15-9/h1-2,5,7,14H,3-4,6H2
InChIKeyJFKZGMLLXRWXKW-UHFFFAOYSA-N
MW365.09 g/mol
LogP4.20
Rot. Bonds5

About 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine

2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine (PubChem CID 115732892) has the molecular formula C11H11Br2NOS and a molecular weight of 365.09 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
PubChem CID115732892
Molecular FormulaC11H11Br2NOS
Molecular Weight365.09 g/mol
Exact Mass362.89
IUPAC Name2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine
SMILESBrc1csc(CNCCc2ccc(Br)o2)c1
InChIInChI=1S/C11H11Br2NOS/c12-8-5-10(16-7-8)6-14-4-3-9-1-2-11(13)15-9/h1-2,5,7,14H,3-4,6H2
InChIKeyJFKZGMLLXRWXKW-UHFFFAOYSA-N
XLogP4.20
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.09
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(5-methylfuran-2-yl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 2675114
n-((4-Bromothiophen-2-yl)methyl)-2-(furan-2-yl)ethan-1-amine
CID 9115210
N-((5-Fluorothiophen-2-yl)methyl)-2-(furan-2-yl)ethanamine
CID 50896528
N-[(5-bromothiophen-2-yl)methyl]-1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanamine
CID 54893599
N-[(4-bromothiophen-2-yl)methyl]-1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanamine
CID 60958093
N-[(3-bromothiophen-2-yl)methyl]-1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanamine
CID 78943470
4-Bromo-N-[(2,5-dimethylfuran-3-YL)methyl]thiophene-2-carboxamide
CID 71807006
N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 5305681
3-bromo-N-[2-(furan-2-yl)-2-oxoethyl]thiophene-2-carboxamide
CID 58248867
N-[(3-bromothiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 61726895
2-(5-Bromofuran-2-yl)-2-phenylsulfanylethylamine
CID 67168460
N-[(5-bromofuran-2-yl)methyl]thiophene-2-carboxamide
CID 130680802

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine?
The IUPAC name of 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine (CID 115732892) is 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine is Brc1csc(CNCCc2ccc(Br)o2)c1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine?
The InChIKey is JFKZGMLLXRWXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NOS/c12-8-5-10(16-7-8)6-14-4-3-9-1-2-11(13)15-9/h1-2,5,7,14H,3-4,6H2.
What are the key properties of 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine?
2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine has a molecular weight of 365.09 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-N-[(4-bromothiophen-2-yl)methyl]ethanamine is sourced from PubChem (CID 115732892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).