2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine

C14H17BrN2S — CID 62605765

IUPAC2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1ncccc1C
InChIInChI=1S/C14H17BrN2S/c1-3-16-12(9-13-11(15)6-8-18-13)14-10(2)5-4-7-17-14/h4-8,12,16H,3,9H2,1-2H3
InChIKeyQMYQCFPHURECMD-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.11
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine

2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine (PubChem CID 62605765) has the molecular formula C14H17BrN2S and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
PubChem CID62605765
Molecular FormulaC14H17BrN2S
Molecular Weight325.27 g/mol
Exact Mass324.03
IUPAC Name2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
SMILESCCNC(Cc1sccc1Br)c1ncccc1C
InChIInChI=1S/C14H17BrN2S/c1-3-16-12(9-13-11(15)6-8-18-13)14-10(2)5-4-7-17-14/h4-8,12,16H,3,9H2,1-2H3
InChIKeyQMYQCFPHURECMD-UHFFFAOYSA-N
XLogP4.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chloro-2-pyridinyl)-2-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 112749578
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methyl-1,3-thiazol-5-yl)ethanamine
CID 114031628
N-[(4-bromothiophen-3-yl)-(3-methyl-2-pyridinyl)methyl]ethanamine
CID 79595213
2-(3-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 115849156
N-ethyl-2-(furan-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 83176213
N-ethyl-2-(4-iodophenyl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 65476888
2-(3,5-difluorophenyl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine
CID 105406043
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63085065
2-(3-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)-N-ethylethanamine
CID 107102242
2-(3-bromothiophen-2-yl)-N-ethyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790287
N-ethyl-1-(3-methyl-2-pyridinyl)but-3-yn-1-amine
CID 62235339
2-(3-bromothiophen-2-yl)-1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115849010

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine (CID 62605765) is 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine is CCNC(Cc1sccc1Br)c1ncccc1C.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine?
The InChIKey is QMYQCFPHURECMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S/c1-3-16-12(9-13-11(15)6-8-18-13)14-10(2)5-4-7-17-14/h4-8,12,16H,3,9H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine?
2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine has a molecular weight of 325.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-ethyl-1-(3-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 62605765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).