2-methoxy-N-(thiophen-2-ylmethyl)ethanamine

C8H13NOS — CID 4719999

IUPAC2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOCCNCc1cccs1
InChIInChI=1S/C8H13NOS/c1-10-5-4-9-7-8-3-2-6-11-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyXYXJSPNXSOZJFB-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.48
Rot. Bonds5

About 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine

2-methoxy-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 4719999) has the molecular formula C8H13NOS and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID4719999
Molecular FormulaC8H13NOS
Molecular Weight171.27 g/mol
Exact Mass171.07
IUPAC Name2-methoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESCOCCNCc1cccs1
InChIInChI=1S/C8H13NOS/c1-10-5-4-9-7-8-3-2-6-11-8/h2-3,6,9H,4-5,7H2,1H3
InChIKeyXYXJSPNXSOZJFB-UHFFFAOYSA-N
XLogP1.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine (CID 4719999) is 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine is COCCNCc1cccs1.
What is the InChIKey of 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is XYXJSPNXSOZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NOS/c1-10-5-4-9-7-8-3-2-6-11-8/h2-3,6,9H,4-5,7H2,1H3.
What are the key properties of 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine?
2-methoxy-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 171.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 4719999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).