2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

C12H12BrFN2S — CID 105139329

IUPAC2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1cncc(F)c1
InChIInChI=1S/C12H12BrFN2S/c1-15-12(4-11-3-9(13)7-17-11)8-2-10(14)6-16-5-8/h2-3,5-7,12,15H,4H2,1H3
InChIKeyNLXXGVUYFGJMMF-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.55
Rot. Bonds4

About 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine

2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (PubChem CID 105139329) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
PubChem CID105139329
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1cc(Br)cs1)c1cncc(F)c1
InChIInChI=1S/C12H12BrFN2S/c1-15-12(4-11-3-9(13)7-17-11)8-2-10(14)6-16-5-8/h2-3,5-7,12,15H,4H2,1H3
InChIKeyNLXXGVUYFGJMMF-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.55
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-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]hydrazine
CID 105299375
2-(4-bromothiophen-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 62600805
2-(4-bromothiophen-2-yl)-1-[4-bromo-3-(trifluoromethyl)phenyl]-N-methylethanamine
CID 115847988
2-(4-chlorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 54967680
2-(4-bromothiophen-2-yl)-1-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 81278511
N-[2-(4-bromothiophen-2-yl)-1-(5-methyl-3-pyridinyl)ethyl]propan-1-amine
CID 105139385
2-(4-bromothiophen-2-yl)-1-(2,5-dibromophenyl)-N-methylethanamine
CID 115848058
[2-(4-bromothiophen-2-yl)-1-(3-fluoro-5-methylphenyl)ethyl]hydrazine
CID 105257514
2-(4-bromothiophen-2-yl)-1-(2,4-difluoro-5-methylphenyl)-N-methylethanamine
CID 115847577
2-(4-chloro-2-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 105190509
1-(5-fluoro-3-pyridinyl)-N-methyl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 115804514

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine (CID 105139329) is 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is CNC(Cc1cc(Br)cs1)c1cncc(F)c1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
The InChIKey is NLXXGVUYFGJMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-15-12(4-11-3-9(13)7-17-11)8-2-10(14)6-16-5-8/h2-3,5-7,12,15H,4H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine?
2-(4-bromothiophen-2-yl)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine has a molecular weight of 315.21 g/mol, XLogP of 3.55, 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)-1-(5-fluoro-3-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 105139329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).