N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine

C12H14BrNOS — CID 104652974

IUPACN-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1ccc(Br)o1)c1ccsc1
InChIInChI=1S/C12H14BrNOS/c1-8(10-5-6-16-7-10)14-9(2)11-3-4-12(13)15-11/h3-9,14H,1-2H3
InChIKeyWQMRMIYVZFYCSZ-UHFFFAOYSA-N
MW300.22 g/mol
LogP4.52
Rot. Bonds4

About N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine

N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 104652974) has the molecular formula C12H14BrNOS and a molecular weight of 300.22 g/mol. Its IUPAC name is N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID104652974
Molecular FormulaC12H14BrNOS
Molecular Weight300.22 g/mol
Exact Mass299.00
IUPAC NameN-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCC(NC(C)c1ccc(Br)o1)c1ccsc1
InChIInChI=1S/C12H14BrNOS/c1-8(10-5-6-16-7-10)14-9(2)11-3-4-12(13)15-11/h3-9,14H,1-2H3
InChIKeyWQMRMIYVZFYCSZ-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-thiophen-3-yl-N-(1-thiophen-3-ylethyl)ethanamine
CID 14249916
(5-bromofuran-2-yl)-thiophen-3-ylmethanol
CID 65099554
5-bromo-N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 62843541
N-[1-(5-bromofuran-2-yl)ethyl]-1-(3,4-dichlorophenyl)ethanamine
CID 104652134
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-thiophen-3-ylethanamine
CID 62091070
1-thiophen-3-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398257
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
N-[1-(5-bromofuran-2-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 104652135
N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
CID 104652004
1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62841313
N-[1-(2-chlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55032423
1-(4-propylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 55122255

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine (CID 104652974) is N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine is CC(NC(C)c1ccc(Br)o1)c1ccsc1.
What is the InChIKey of N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is WQMRMIYVZFYCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNOS/c1-8(10-5-6-16-7-10)14-9(2)11-3-4-12(13)15-11/h3-9,14H,1-2H3.
What are the key properties of N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 300.22 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromofuran-2-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 104652974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).