2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

C15H20N2OS — CID 46996886

IUPAC2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccccn1)Cc1sccc1C
InChIInChI=1S/C15H20N2OS/c1-13-6-10-19-15(13)12-17(8-9-18-2)11-14-5-3-4-7-16-14/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyGDQGMUQCTGEXFU-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.10
Rot. Bonds7

About 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine

2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 46996886) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID46996886
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine
SMILESCOCCN(Cc1ccccn1)Cc1sccc1C
InChIInChI=1S/C15H20N2OS/c1-13-6-10-19-15(13)12-17(8-9-18-2)11-14-5-3-4-7-16-14/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyGDQGMUQCTGEXFU-UHFFFAOYSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine (CID 46996886) is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is COCCN(Cc1ccccn1)Cc1sccc1C.
What is the InChIKey of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is GDQGMUQCTGEXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-13-6-10-19-15(13)12-17(8-9-18-2)11-14-5-3-4-7-16-14/h3-7,10H,8-9,11-12H2,1-2H3.
What are the key properties of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine?
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 46996886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).