1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine

C14H17BrN2S — CID 79748456

IUPAC1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(Br)s2)nc1
InChIInChI=1S/C14H17BrN2S/c1-3-10-4-5-11(17-9-10)8-12(16-2)13-6-7-14(15)18-13/h4-7,9,12,16H,3,8H2,1-2H3
InChIKeyNUZNTZZZOBPKBL-UHFFFAOYSA-N
MW325.28 g/mol
LogP3.97
Rot. Bonds5

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

1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 79748456) has the molecular formula C14H17BrN2S and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
PubChem CID79748456
Molecular FormulaC14H17BrN2S
Molecular Weight325.28 g/mol
Exact Mass324.03
IUPAC Name1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
SMILESCCc1ccc(CC(NC)c2ccc(Br)s2)nc1
InChIInChI=1S/C14H17BrN2S/c1-3-10-4-5-11(17-9-10)8-12(16-2)13-6-7-14(15)18-13/h4-7,9,12,16H,3,8H2,1-2H3
InChIKeyNUZNTZZZOBPKBL-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-ethyl-2-pyridinyl)-1-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105324327
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 105014417
1-(5-bromothiophen-2-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065076
[1-(5-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105324371
N-[1-(5-bromothiophen-2-yl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66447120
2-(5-ethyl-2-pyridinyl)-1-(4-ethylthiadiazol-5-yl)-N-methylethanamine
CID 105168864
1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 107994454
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 79747878
2-(5-ethyl-2-pyridinyl)-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 79733087
1-(5-ethyl-2-pyridinyl)-N-methylbutan-2-amine
CID 79006788
[1-(5-bromo-2-pyridinyl)-2-(5-ethyl-2-pyridinyl)ethyl]hydrazine
CID 105267672
1-(1,3-dimethylpyrazol-4-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 102804167

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine (CID 79748456) is 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is CCc1ccc(CC(NC)c2ccc(Br)s2)nc1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is NUZNTZZZOBPKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-3-10-4-5-11(17-9-10)8-12(16-2)13-6-7-14(15)18-13/h4-7,9,12,16H,3,8H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine?
1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 325.28 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 79748456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).