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

C12H13BrN2S — CID 62602058

IUPAC2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1ccncc1
InChIInChI=1S/C12H13BrN2S/c1-14-12(9-2-4-15-5-3-9)7-11-6-10(13)8-16-11/h2-6,8,12,14H,7H2,1H3
InChIKeyQPTBLFWEPDKKAT-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.41
Rot. Bonds4

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

2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 62602058) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
PubChem CID62602058
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1ccncc1
InChIInChI=1S/C12H13BrN2S/c1-14-12(9-2-4-15-5-3-9)7-11-6-10(13)8-16-11/h2-6,8,12,14H,7H2,1H3
InChIKeyQPTBLFWEPDKKAT-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)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105139329
2-(5-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601106
2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62600805
2-(4-bromothiophen-2-yl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 114019256
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115847988
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 81278511
2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115847577
2-(4-bromothiophen-2-yl)-1-[2-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115847852
2-(4-chlorophenyl)-N-methyl-1-pyridin-4-ylethanamine
CID 60819195
[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105299375
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine (CID 62602058) is 2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine is CNC(Cc1cc(Br)cs1)c1ccncc1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is QPTBLFWEPDKKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-14-12(9-2-4-15-5-3-9)7-11-6-10(13)8-16-11/h2-6,8,12,14H,7H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine?
2-(4-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-(4-bromothiophen-2-yl)-N-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 62602058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).