2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine

C10H17NO2S — CID 46785016

IUPAC2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCOCCNCc1ccc(COC)s1
InChIInChI=1S/C10H17NO2S/c1-12-6-5-11-7-9-3-4-10(14-9)8-13-2/h3-4,11H,5-8H2,1-2H3
InChIKeyUQJYGNGPYUUWIC-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.63
Rot. Bonds7

About 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine

2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 46785016) has the molecular formula C10H17NO2S and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID46785016
Molecular FormulaC10H17NO2S
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Name2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCOCCNCc1ccc(COC)s1
InChIInChI=1S/C10H17NO2S/c1-12-6-5-11-7-9-3-4-10(14-9)8-13-2/h3-4,11H,5-8H2,1-2H3
InChIKeyUQJYGNGPYUUWIC-UHFFFAOYSA-N
XLogP1.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine (CID 46785016) is 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine is COCCNCc1ccc(COC)s1.
What is the InChIKey of 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is UQJYGNGPYUUWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2S/c1-12-6-5-11-7-9-3-4-10(14-9)8-13-2/h3-4,11H,5-8H2,1-2H3.
What are the key properties of 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine?
2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 215.32 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[5-(methoxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 46785016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).