1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine

C15H19ClN2OS — CID 115843919

IUPAC1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)c1sccc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-9-8-18-12(10(2)14(9)19-4)7-13(17-3)15-11(16)5-6-20-15/h5-6,8,13,17H,7H2,1-4H3
InChIKeyYOQFAAJEFSERCJ-UHFFFAOYSA-N
MW310.85 g/mol
LogP3.93
Rot. Bonds5

About 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine

1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine (PubChem CID 115843919) has the molecular formula C15H19ClN2OS and a molecular weight of 310.85 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
PubChem CID115843919
Molecular FormulaC15H19ClN2OS
Molecular Weight310.85 g/mol
Exact Mass310.09
IUPAC Name1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ncc(C)c(OC)c1C)c1sccc1Cl
InChIInChI=1S/C15H19ClN2OS/c1-9-8-18-12(10(2)14(9)19-4)7-13(17-3)15-11(16)5-6-20-15/h5-6,8,13,17H,7H2,1-4H3
InChIKeyYOQFAAJEFSERCJ-UHFFFAOYSA-N
XLogP3.93
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine (CID 115843919) is 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine is CNC(Cc1ncc(C)c(OC)c1C)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
The InChIKey is YOQFAAJEFSERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2OS/c1-9-8-18-12(10(2)14(9)19-4)7-13(17-3)15-11(16)5-6-20-15/h5-6,8,13,17H,7H2,1-4H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine?
1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine has a molecular weight of 310.85 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 115843919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).