2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine

C12H13BrN2S — CID 114877921

IUPAC2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1ccc(Br)s1
InChIInChI=1S/C12H13BrN2S/c1-8-4-5-15-7-10(8)11(14)6-9-2-3-12(13)16-9/h2-5,7,11H,6,14H2,1H3
InChIKeyOSESHIUJBOFTRK-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.46
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 114877921) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID114877921
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1ccc(Br)s1
InChIInChI=1S/C12H13BrN2S/c1-8-4-5-15-7-10(8)11(14)6-9-2-3-12(13)16-9/h2-5,7,11H,6,14H2,1H3
InChIKeyOSESHIUJBOFTRK-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 105134853
2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877893
2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530366
2-(5-bromothiophen-2-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 115841290
2-(5-bromothiophen-2-yl)-1-quinolin-4-ylethanamine
CID 105134776
2-(5-bromothiophen-2-yl)-1-(2-fluorophenyl)ethanamine
CID 63084882
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705
2-(5-bromothiophen-2-yl)-1-quinolin-5-ylethanamine
CID 105134595
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878006
(1R)-2-methoxy-1-(4-methyl-3-pyridinyl)ethanamine
CID 55292197
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877854

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 114877921) is 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1C(N)Cc1ccc(Br)s1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is OSESHIUJBOFTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-4-5-15-7-10(8)11(14)6-9-2-3-12(13)16-9/h2-5,7,11H,6,14H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.46, 3 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)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 114877921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).