1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine

C13H16BrNOS — CID 105029716

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1cc(C)c(Br)s1
InChIInChI=1S/C13H16BrNOS/c1-3-15-11(7-10-4-5-16-8-10)12-6-9(2)13(14)17-12/h4-6,8,11,15H,3,7H2,1-2H3
InChIKeyQRHKTJUDGPTDOF-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.31
Rot. Bonds5

About 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine (PubChem CID 105029716) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine
PubChem CID105029716
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine
SMILESCCNC(Cc1ccoc1)c1cc(C)c(Br)s1
InChIInChI=1S/C13H16BrNOS/c1-3-15-11(7-10-4-5-16-8-10)12-6-9(2)13(14)17-12/h4-6,8,11,15H,3,7H2,1-2H3
InChIKeyQRHKTJUDGPTDOF-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(4-iodophenyl)ethanamine
CID 115863981
1-(2,5-dibromothiophen-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 107968942
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 79990812
1-(5-bromo-4-methylthiophen-2-yl)-2-(4-chloro-3-fluorophenyl)-N-ethylethanamine
CID 107891675
1-(5-bromo-4-methylthiophen-2-yl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103043163
N-ethyl-2-(furan-3-yl)-1-(5-methylfuran-2-yl)ethanamine
CID 105029983
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 79990464
N-ethyl-2-(furan-3-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104805287
1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 104996013
2-(1,3-benzothiazol-2-yl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 79977130
1-(5-bromo-3-pyridinyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83183662
N-ethyl-1-(4-fluoro-3-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83174718

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine (CID 105029716) is 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine is CCNC(Cc1ccoc1)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine?
The InChIKey is QRHKTJUDGPTDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-3-15-11(7-10-4-5-16-8-10)12-6-9(2)13(14)17-12/h4-6,8,11,15H,3,7H2,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine has a molecular weight of 314.25 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-N-ethyl-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 105029716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).