N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine

C12H12BrFN2S — CID 83117448

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NCc1ccc(Br)s1)c1ccc(F)cn1
InChIInChI=1S/C12H12BrFN2S/c1-8(11-4-2-9(14)6-16-11)15-7-10-3-5-12(13)17-10/h2-6,8,15H,7H2,1H3
InChIKeyWDIDUPYAWKSNLX-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.90
Rot. Bonds4

About N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine

N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine (PubChem CID 83117448) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
PubChem CID83117448
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
SMILESCC(NCc1ccc(Br)s1)c1ccc(F)cn1
InChIInChI=1S/C12H12BrFN2S/c1-8(11-4-2-9(14)6-16-11)15-7-10-3-5-12(13)17-10/h2-6,8,15H,7H2,1H3
InChIKeyWDIDUPYAWKSNLX-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723631
[2-(5-bromothiophen-2-yl)-1-(5-fluoro-2-pyridinyl)ethyl]hydrazine
CID 105248249
1-(5-fluoro-2-pyridinyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 83119707
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)ethanamine
CID 54900157
1-(5-fluoro-2-pyridinyl)-N-(furan-3-ylmethyl)ethanamine
CID 115886247
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
1-(5-fluoro-2-pyridinyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 106391684
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
(1R)-1-(4-bromophenyl)-N-[(5-bromothiophen-2-yl)methyl]ethanamine
CID 78921804
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine (CID 83117448) is N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine is CC(NCc1ccc(Br)s1)c1ccc(F)cn1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
The InChIKey is WDIDUPYAWKSNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-8(11-4-2-9(14)6-16-11)15-7-10-3-5-12(13)17-10/h2-6,8,15H,7H2,1H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine has a molecular weight of 315.21 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine is sourced from PubChem (CID 83117448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).