N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine

C₂₃H₄₀N₂O — CID 46890025

About N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine

N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine (PubChem CID 46890025) has the molecular formula C₂₃H₄₀N₂O and a molecular weight of 360.59 g/mol. Its IUPAC name is N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine
• PubChem CID: 46890025
• Molecular Formula: C₂₃H₄₀N₂O
• Molecular Weight: 360.59 g/mol
• Exact Mass: 360.31
• IUPAC Name: N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine
• SMILES: CCN(CC)Cc1ccc(OCCCCCCCCN2CCCC2)cc1
• InChI: InChI=1S/C23H40N2O/c1-3-24(4-2)21-22-13-15-23(16-14-22)26-20-12-8-6-5-7-9-17-25-18-10-11-19-25/h13-16H,3-12,17-21H2,1-2H3
• InChIKey: ZAAFUWUASIUWDU-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 15.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	360.59
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine?

The IUPAC name of N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine (CID 46890025) is N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine.

What is the SMILES notation for N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine?

The canonical SMILES for N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(OCCCCCCCCN2CCCC2)cc1.

What is the InChIKey of N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine?

The InChIKey is ZAAFUWUASIUWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N2O/c1-3-24(4-2)21-22-13-15-23(16-14-22)26-20-12-8-6-5-7-9-17-25-18-10-11-19-25/h13-16H,3-12,17-21H2,1-2H3.

What are the key properties of N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine?

N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine has a molecular weight of 360.59 g/mol, XLogP of 5.34, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-N-[[4-(8-pyrrolidin-1-yloctoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 46890025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46890025 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.