N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine

C13H15BrN2S — CID 113343837

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(NCCc1ccc(Br)s1)c1ccccn1
InChIInChI=1S/C13H15BrN2S/c1-10(12-4-2-3-8-16-12)15-9-7-11-5-6-13(14)17-11/h2-6,8,10,15H,7,9H2,1H3
InChIKeyKUWYAXFJBNKNBZ-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.80
Rot. Bonds5

About N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine

N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine (PubChem CID 113343837) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
PubChem CID113343837
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine
SMILESCC(NCCc1ccc(Br)s1)c1ccccn1
InChIInChI=1S/C13H15BrN2S/c1-10(12-4-2-3-8-16-12)15-9-7-11-5-6-13(14)17-11/h2-6,8,10,15H,7,9H2,1H3
InChIKeyKUWYAXFJBNKNBZ-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879121
N-[2-(5-bromothiophen-2-yl)ethyl]-1-thiophen-2-ylethanamine
CID 115712475
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 103913849
N-[2-(5-bromothiophen-2-yl)ethyl]-3-methylbutan-2-amine
CID 115712476
1-(1,3-benzothiazol-2-yl)-N-[2-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 103778873
(1S)-1-pyridin-2-yl-N-(2-pyridin-4-ylethyl)ethanamine
CID 81402151
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 106043570
N-[2-(5-bromothiophen-2-yl)ethyl]-1-(1-methylbenzimidazol-2-yl)ethanamine
CID 103910469
N-[2-(5-bromothiophen-2-yl)ethyl]pentan-2-amine
CID 115712481
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyridin-2-ylethanamine
CID 103901521
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine (CID 113343837) is N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine is CC(NCCc1ccc(Br)s1)c1ccccn1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine?
The InChIKey is KUWYAXFJBNKNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-10(12-4-2-3-8-16-12)15-9-7-11-5-6-13(14)17-11/h2-6,8,10,15H,7,9H2,1H3.
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine?
N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 113343837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).