1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine

C13H14Cl2N2S — CID 107963061

IUPAC1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(C)cn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-8-3-4-9(17-7-8)5-11(16-2)10-6-12(14)18-13(10)15/h3-4,6-7,11,16H,5H2,1-2H3
InChIKeyVTQVEDLFGBEERY-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.26
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine

1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine (PubChem CID 107963061) has the molecular formula C13H14Cl2N2S and a molecular weight of 301.24 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
PubChem CID107963061
Molecular FormulaC13H14Cl2N2S
Molecular Weight301.24 g/mol
Exact Mass300.03
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
SMILESCNC(Cc1ccc(C)cn1)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H14Cl2N2S/c1-8-3-4-9(17-7-8)5-11(16-2)10-6-12(14)18-13(10)15/h3-4,6-7,11,16H,5H2,1-2H3
InChIKeyVTQVEDLFGBEERY-UHFFFAOYSA-N
XLogP4.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447132
1-(2,5-dichlorothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 107968056
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 43486785
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 107968418
1-(2,3-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447887
1-(1-benzothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66447520
2-(5-bromothiophen-2-yl)-1-(2,5-dichlorothiophen-3-yl)-N-methylethanamine
CID 114022091
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 114022140
N-methyl-2-(5-methyl-2-pyridinyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 66447123
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 107955465
1-(2,6-difluorophenyl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446542
1-(6-fluoro-1-benzothiophen-2-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 81115596

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine (CID 107963061) is 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine is CNC(Cc1ccc(C)cn1)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
The InChIKey is VTQVEDLFGBEERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2S/c1-8-3-4-9(17-7-8)5-11(16-2)10-6-12(14)18-13(10)15/h3-4,6-7,11,16H,5H2,1-2H3.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine?
1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine has a molecular weight of 301.24 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-N-methyl-2-(5-methyl-2-pyridinyl)ethanamine is sourced from PubChem (CID 107963061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).