2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine

C13H14BrFN2S — CID 79723631

IUPAC2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1ccc(F)cn1
InChIInChI=1S/C13H14BrFN2S/c1-2-16-12(7-10-4-6-13(14)18-10)11-5-3-9(15)8-17-11/h3-6,8,12,16H,2,7H2,1H3
InChIKeyXVEAIAQHMYHFRR-UHFFFAOYSA-N
MW329.24 g/mol
LogP3.94
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine

2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 79723631) has the molecular formula C13H14BrFN2S and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID79723631
Molecular FormulaC13H14BrFN2S
Molecular Weight329.24 g/mol
Exact Mass328.00
IUPAC Name2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCCNC(Cc1ccc(Br)s1)c1ccc(F)cn1
InChIInChI=1S/C13H14BrFN2S/c1-2-16-12(7-10-4-6-13(14)18-10)11-5-3-9(15)8-17-11/h3-6,8,12,16H,2,7H2,1H3
InChIKeyXVEAIAQHMYHFRR-UHFFFAOYSA-N
XLogP3.94
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105248249
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83117448
2-(3,5-difluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 105406641
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83129133
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-pyridin-4-ylethanamine
CID 79713745
N-[2-(5-ethylthiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]propan-2-amine
CID 79712406
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 114856477
2-(5-bromothiophen-2-yl)-N-ethyl-1-(6-fluoro-1-benzothiophen-2-yl)ethanamine
CID 115841174
N-ethyl-1-(5-fluoro-2-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 79706079
1-(5-bromo-2-pyridinyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348314
2-(3-chloro-4-pyridinyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723632

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine (CID 79723631) is 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine is CCNC(Cc1ccc(Br)s1)c1ccc(F)cn1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is XVEAIAQHMYHFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN2S/c1-2-16-12(7-10-4-6-13(14)18-10)11-5-3-9(15)8-17-11/h3-6,8,12,16H,2,7H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine?
2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 329.24 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 79723631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).