2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine

C8H17NO2S — CID 79962716

IUPAC2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine
SMILESCCOCC(N)C1CSCCO1
InChIInChI=1S/C8H17NO2S/c1-2-10-5-7(9)8-6-12-4-3-11-8/h7-8H,2-6,9H2,1H3
InChIKeyQGRXQEPGNWRDHW-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.48
Rot. Bonds4

About 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine

2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine (PubChem CID 79962716) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine
PubChem CID79962716
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine
SMILESCCOCC(N)C1CSCCO1
InChIInChI=1S/C8H17NO2S/c1-2-10-5-7(9)8-6-12-4-3-11-8/h7-8H,2-6,9H2,1H3
InChIKeyQGRXQEPGNWRDHW-UHFFFAOYSA-N
XLogP0.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-(1,4-oxathian-2-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-ethoxy-1-(1,4-oxathian-2-yl)ethanamine?
The IUPAC name of 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine (CID 79962716) is 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine is CCOCC(N)C1CSCCO1.
What is the InChIKey of 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine?
The InChIKey is QGRXQEPGNWRDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-10-5-7(9)8-6-12-4-3-11-8/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine?
2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine has a molecular weight of 191.30 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1,4-oxathian-2-yl)ethanamine is sourced from PubChem (CID 79962716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).