N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine

C₁₅H₂₃NO₃ — CID 63557627

About N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine

N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine (PubChem CID 63557627) has the molecular formula C₁₅H₂₃NO₃ and a molecular weight of 265.35 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine.

Molecular Properties

• Compound Name: N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
• PubChem CID: 63557627
• Molecular Formula: C₁₅H₂₃NO₃
• Molecular Weight: 265.35 g/mol
• Exact Mass: 265.17
• IUPAC Name: N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
• SMILES: CCNC(COC1CCOC1)c1ccc(OC)cc1
• InChI: InChI=1S/C15H23NO3/c1-3-16-15(11-19-14-8-9-18-10-14)12-4-6-13(17-2)7-5-12/h4-7,14-16H,3,8-11H2,1-2H3
• InChIKey: MLAKGJMUJOADMW-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 39.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	265.35
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine?

The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine (CID 63557627) is N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine.

What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine?

The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine is CCNC(COC1CCOC1)c1ccc(OC)cc1.

What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine?

The InChIKey is MLAKGJMUJOADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-16-15(11-19-14-8-9-18-10-14)12-4-6-13(17-2)7-5-12/h4-7,14-16H,3,8-11H2,1-2H3.

What are the key properties of N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine?

N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine has a molecular weight of 265.35 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine is sourced from PubChem (CID 63557627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 63557627 — identifiers, structure, computed properties (public domain)

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