2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine

C12H13BrN2S — CID 62601106

IUPAC2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1ccncc1
InChIInChI=1S/C12H13BrN2S/c1-14-11(9-4-6-15-7-5-9)8-10-2-3-12(13)16-10/h2-7,11,14H,8H2,1H3
InChIKeyGVHLNPISJSMYFT-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.41
Rot. Bonds4

About 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine

2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 62601106) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
PubChem CID62601106
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
SMILESCNC(Cc1ccc(Br)s1)c1ccncc1
InChIInChI=1S/C12H13BrN2S/c1-14-11(9-4-6-15-7-5-9)8-10-2-3-12(13)16-10/h2-7,11,14H,8H2,1H3
InChIKeyGVHLNPISJSMYFT-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62602058
2-(5-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 55095213
1-(5-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 62602112
2-(5-bromothiophen-2-yl)-1-(3-methoxy-4-methylphenyl)-N-methylethanamine
CID 115841037
2-(5-bromothiophen-2-yl)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115841034
2-(5-bromothiophen-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115841218
[2-(5-ethylthiophen-2-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196515
1-(2-bromo-4-methylphenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 115840991
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
1-(2-bromo-6-fluorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114887025
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
2-(5-bromothiophen-2-yl)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 62600711

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine (CID 62601106) is 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine is CNC(Cc1ccc(Br)s1)c1ccncc1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is GVHLNPISJSMYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-14-11(9-4-6-15-7-5-9)8-10-2-3-12(13)16-10/h2-7,11,14H,8H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine?
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.41, 4 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-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 62601106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).