2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine

C13H16BrNOS — CID 114104279

IUPAC2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine
SMILESCCc1occc1C(Cc1sccc1Br)NC
InChIInChI=1S/C13H16BrNOS/c1-3-12-9(4-6-16-12)11(15-2)8-13-10(14)5-7-17-13/h4-7,11,15H,3,8H2,1-2H3
InChIKeyKMIAHKSNFQWLHI-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.17
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine

2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine (PubChem CID 114104279) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine
PubChem CID114104279
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine
SMILESCCc1occc1C(Cc1sccc1Br)NC
InChIInChI=1S/C13H16BrNOS/c1-3-12-9(4-6-16-12)11(15-2)8-13-10(14)5-7-17-13/h4-7,11,15H,3,8H2,1-2H3
InChIKeyKMIAHKSNFQWLHI-UHFFFAOYSA-N
XLogP4.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790070
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
2-(3-bromothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115848811
2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62600319
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylethanamine
CID 105139467
2-(3-bromothiophen-2-yl)-1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115849141
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(3-bromothiophen-2-yl)-N-methyl-1-quinolin-8-ylethanamine
CID 105139399
2-(3-bromothiophen-2-yl)-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylethanamine
CID 105139407
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755175
1-(3-bromothiophen-2-yl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 105139496
2-(3-bromothiophen-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)ethanamine
CID 105139432

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine (CID 114104279) is 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine is CCc1occc1C(Cc1sccc1Br)NC.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine?
The InChIKey is KMIAHKSNFQWLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-3-12-9(4-6-16-12)11(15-2)8-13-10(14)5-7-17-13/h4-7,11,15H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine?
2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine has a molecular weight of 314.25 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine is sourced from PubChem (CID 114104279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).