2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine

C13H16BrNOS — CID 104790287

IUPAC2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1ccoc1C
InChIInChI=1S/C13H16BrNOS/c1-3-15-12(10-4-6-16-9(10)2)8-13-11(14)5-7-17-13/h4-7,12,15H,3,8H2,1-2H3
InChIKeyMJEQNOKSTKVVNA-UHFFFAOYSA-N
MW314.25 g/mol
LogP4.31
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine

2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (PubChem CID 104790287) has the molecular formula C13H16BrNOS and a molecular weight of 314.25 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
PubChem CID104790287
Molecular FormulaC13H16BrNOS
Molecular Weight314.25 g/mol
Exact Mass313.01
IUPAC Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1ccoc1C
InChIInChI=1S/C13H16BrNOS/c1-3-15-12(10-4-6-16-9(10)2)8-13-11(14)5-7-17-13/h4-7,12,15H,3,8H2,1-2H3
InChIKeyMJEQNOKSTKVVNA-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

2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790070
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242
1-(2-bromo-4-fluorophenyl)-2-(3-bromothiophen-2-yl)-N-ethylethanamine
CID 115848907
2-(3-bromothiophen-2-yl)-1-(2-ethylfuran-3-yl)-N-methylethanamine
CID 114104279
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790134
2-(3-bromothiophen-2-yl)-N-ethyl-1-naphthalen-2-ylethanamine
CID 63416626
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031628
4-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylaniline
CID 105139649
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 62605765

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine (CID 104790287) is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is CCNC(Cc1sccc1Br)c1ccoc1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
The InChIKey is MJEQNOKSTKVVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNOS/c1-3-15-12(10-4-6-16-9(10)2)8-13-11(14)5-7-17-13/h4-7,12,15H,3,8H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine?
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-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 2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 104790287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).