2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine

C15H20N2O2S — CID 79158981

IUPAC2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1nc(C)ccc1OCc1ccsc1
InChIInChI=1S/C15H20N2O2S/c1-12-3-4-15(19-10-13-5-8-20-11-13)14(17-12)9-16-6-7-18-2/h3-5,8,11,16H,6-7,9-10H2,1-2H3
InChIKeyJNPHXDHXDSZQDH-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.77
Rot. Bonds8

About 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine

2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 79158981) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID79158981
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
SMILESCOCCNCc1nc(C)ccc1OCc1ccsc1
InChIInChI=1S/C15H20N2O2S/c1-12-3-4-15(19-10-13-5-8-20-11-13)14(17-12)9-16-6-7-18-2/h3-5,8,11,16H,6-7,9-10H2,1-2H3
InChIKeyJNPHXDHXDSZQDH-UHFFFAOYSA-N
XLogP2.77
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79150512
2-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]ethanamine
CID 79168987
2-methoxy-N-[[6-methyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 79156826
N-[[3-(2,2-difluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79156818
2-methoxy-N-[[6-methyl-3-[(1-methylpyrazol-3-yl)methoxy]-2-pyridinyl]methyl]ethanamine
CID 82866668
N-[(3-but-3-enoxy-6-methyl-2-pyridinyl)methyl]-2-methoxyethanamine
CID 79158142
N-[[5-fluoro-2-(thiophen-3-ylmethoxy)phenyl]methyl]-2-methoxyethanamine
CID 107697144
1-[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]propan-2-amine
CID 79169247
N-[[3-(difluoromethoxy)-6-methyl-2-pyridinyl]methyl]-2-methoxyethanamine
CID 79158985
N-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethyl]-2-methoxyethanamine
CID 103175724
N-[[3-[(4-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methyl]propan-1-amine
CID 79157715
N-[[6-methyl-3-(3-methylbutoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150680

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine (CID 79158981) is 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine is COCCNCc1nc(C)ccc1OCc1ccsc1.
What is the InChIKey of 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is JNPHXDHXDSZQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-12-3-4-15(19-10-13-5-8-20-11-13)14(17-12)9-16-6-7-18-2/h3-5,8,11,16H,6-7,9-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine?
2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[6-methyl-3-(thiophen-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 79158981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).