2-(4-thiophen-2-yloxan-4-yl)ethanamine

C11H17NOS — CID 83820999

IUPAC2-(4-thiophen-2-yloxan-4-yl)ethanamine
SMILESNCCC1(c2cccs2)CCOCC1
InChIInChI=1S/C11H17NOS/c12-6-3-11(4-7-13-8-5-11)10-2-1-9-14-10/h1-2,9H,3-8,12H2
InChIKeyUTEAJYVGEOVMFO-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.15
Rot. Bonds3

About 2-(4-thiophen-2-yloxan-4-yl)ethanamine

2-(4-thiophen-2-yloxan-4-yl)ethanamine (PubChem CID 83820999) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 2-(4-thiophen-2-yloxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-thiophen-2-yloxan-4-yl)ethanamine
PubChem CID83820999
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name2-(4-thiophen-2-yloxan-4-yl)ethanamine
SMILESNCCC1(c2cccs2)CCOCC1
InChIInChI=1S/C11H17NOS/c12-6-3-11(4-7-13-8-5-11)10-2-1-9-14-10/h1-2,9H,3-8,12H2
InChIKeyUTEAJYVGEOVMFO-UHFFFAOYSA-N
XLogP2.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-thiophen-2-yloxan-4-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-thiophen-2-yloxan-4-yl)ethanamine?
The IUPAC name of 2-(4-thiophen-2-yloxan-4-yl)ethanamine (CID 83820999) is 2-(4-thiophen-2-yloxan-4-yl)ethanamine.
What is the SMILES notation for 2-(4-thiophen-2-yloxan-4-yl)ethanamine?
The canonical SMILES for 2-(4-thiophen-2-yloxan-4-yl)ethanamine is NCCC1(c2cccs2)CCOCC1.
What is the InChIKey of 2-(4-thiophen-2-yloxan-4-yl)ethanamine?
The InChIKey is UTEAJYVGEOVMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c12-6-3-11(4-7-13-8-5-11)10-2-1-9-14-10/h1-2,9H,3-8,12H2.
What are the key properties of 2-(4-thiophen-2-yloxan-4-yl)ethanamine?
2-(4-thiophen-2-yloxan-4-yl)ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-thiophen-2-yloxan-4-yl)ethanamine is sourced from PubChem (CID 83820999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).