N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine

C13H15BrN2S — CID 54898249

IUPACN-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)c1ccc(Br)s1)c1ccncc1
InChIInChI=1S/C13H15BrN2S/c1-9(11-5-7-15-8-6-11)16-10(2)12-3-4-13(14)17-12/h3-10,16H,1-2H3
InChIKeyDJJSPPWXWWFSOQ-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.32
Rot. Bonds4

About N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine

N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine (PubChem CID 54898249) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
PubChem CID54898249
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC NameN-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
SMILESCC(NC(C)c1ccc(Br)s1)c1ccncc1
InChIInChI=1S/C13H15BrN2S/c1-9(11-5-7-15-8-6-11)16-10(2)12-3-4-13(14)17-12/h3-10,16H,1-2H3
InChIKeyDJJSPPWXWWFSOQ-UHFFFAOYSA-N
XLogP4.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-N-methyl-2-pyridin-4-ylpropan-1-amine
CID 66448712
1-pyridin-4-yl-N-[(1R)-1-thiophen-2-ylethyl]ethanamine
CID 81398579
1-(4-propan-2-ylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81406241
1-phenyl-N-[(1R)-1-pyridin-4-ylethyl]ethanamine
CID 81405685
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 104982897
(1S)-1-(4-bromophenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81360088
(1R)-1-(2-bromophenyl)-N-[1-(5-bromothiophen-2-yl)ethyl]ethanamine
CID 81378370
N-[1-(5-bromothiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721712
(1S)-N-[1-(5-bromothiophen-2-yl)ethyl]-1-cyclohexylethanamine
CID 81386958
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
(1R)-N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322859
(1R)-N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-1-pyridin-4-ylpropan-1-amine
CID 97322861

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The IUPAC name of N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine (CID 54898249) is N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine is CC(NC(C)c1ccc(Br)s1)c1ccncc1.
What is the InChIKey of N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine?
The InChIKey is DJJSPPWXWWFSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9(11-5-7-15-8-6-11)16-10(2)12-3-4-13(14)17-12/h3-10,16H,1-2H3.
What are the key properties of N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine?
N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine has a molecular weight of 311.25 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophen-2-yl)ethyl]-1-pyridin-4-ylethanamine is sourced from PubChem (CID 54898249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).