1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine

C13H15ClN2S — CID 107360117

IUPAC1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine
SMILESCCc1cnccc1C(NC)c1sccc1Cl
InChIInChI=1S/C13H15ClN2S/c1-3-9-8-16-6-4-10(9)12(15-2)13-11(14)5-7-17-13/h4-8,12,15H,3H2,1-2H3
InChIKeyPMHKDUNUVDEKLC-UHFFFAOYSA-N
MW266.80 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine

1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine (PubChem CID 107360117) has the molecular formula C13H15ClN2S and a molecular weight of 266.80 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine
PubChem CID107360117
Molecular FormulaC13H15ClN2S
Molecular Weight266.80 g/mol
Exact Mass266.06
IUPAC Name1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine
SMILESCCc1cnccc1C(NC)c1sccc1Cl
InChIInChI=1S/C13H15ClN2S/c1-3-9-8-16-6-4-10(9)12(15-2)13-11(14)5-7-17-13/h4-8,12,15H,3H2,1-2H3
InChIKeyPMHKDUNUVDEKLC-UHFFFAOYSA-N
XLogP3.67
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.80
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3-chlorothiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335330
[(3-chlorothiophen-2-yl)-(3-ethylthiophen-2-yl)methyl]hydrazine
CID 107362343
1-(4-chloro-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105040481
1-(3-chlorothiophen-2-yl)-N-methyl-1-(5-methylpyrimidin-2-yl)methanamine
CID 107360106
1-(3-chlorothiophen-2-yl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 107360135
1-(3-ethyl-4-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516045
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 80529098
1-(3-chlorothiophen-2-yl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 80645153
[(3-ethylthiophen-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335326
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4,5,6-pentamethylphenyl)methanamine
CID 80644377
1-(3-chlorothiophen-2-yl)-N-methyl-1-thiophen-2-ylmethanamine
CID 80528883
1-(4-bromo-1-ethylpyrazol-5-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105039974

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine (CID 107360117) is 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine is CCc1cnccc1C(NC)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine?
The InChIKey is PMHKDUNUVDEKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S/c1-3-9-8-16-6-4-10(9)12(15-2)13-11(14)5-7-17-13/h4-8,12,15H,3H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine?
1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine has a molecular weight of 266.80 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-(3-ethyl-4-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 107360117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).