2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

C₁₃H₂₁NO₂ — CID 105030155

About 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine

2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (PubChem CID 105030155) has the molecular formula C₁₃H₂₁NO₂ and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

Molecular Properties

• Compound Name: 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
• PubChem CID: 105030155
• Molecular Formula: C₁₃H₂₁NO₂
• Molecular Weight: 223.32 g/mol
• Exact Mass: 223.16
• IUPAC Name: 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine
• SMILES: CC1OC(C)C(C(N)Cc2ccoc2)C1C
• InChI: InChI=1S/C13H21NO2/c1-8-9(2)16-10(3)13(8)12(14)6-11-4-5-15-7-11/h4-5,7-10,12-13H,6,14H2,1-3H3
• InChIKey: KRQUVUBZGWCEPX-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 48.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	223.32
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?

The IUPAC name of 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine (CID 105030155) is 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine.

What is the SMILES notation for 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?

The canonical SMILES for 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is CC1OC(C)C(C(N)Cc2ccoc2)C1C.

What is the InChIKey of 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?

The InChIKey is KRQUVUBZGWCEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-9(2)16-10(3)13(8)12(14)6-11-4-5-15-7-11/h4-5,7-10,12-13H,6,14H2,1-3H3.

What are the key properties of 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine?

2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-3-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 105030155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 105030155 — identifiers, structure, computed properties (public domain)

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