N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine

C₁₅H₂₅NO₃ — CID 62455235

About N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine

N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine (PubChem CID 62455235) has the molecular formula C₁₅H₂₅NO₃ and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
• PubChem CID: 62455235
• Molecular Formula: C₁₅H₂₅NO₃
• Molecular Weight: 267.37 g/mol
• Exact Mass: 267.18
• IUPAC Name: N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
• SMILES: CCCNCc1cccc(OCCOCCOC)c1
• InChI: InChI=1S/C15H25NO3/c1-3-7-16-13-14-5-4-6-15(12-14)19-11-10-18-9-8-17-2/h4-6,12,16H,3,7-11,13H2,1-2H3
• InChIKey: PCNBWZSACQHVNA-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 39.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.37
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine?

The IUPAC name of N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine (CID 62455235) is N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine.

What is the SMILES notation for N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine?

The canonical SMILES for N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine is CCCNCc1cccc(OCCOCCOC)c1.

What is the InChIKey of N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine?

The InChIKey is PCNBWZSACQHVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-3-7-16-13-14-5-4-6-15(12-14)19-11-10-18-9-8-17-2/h4-6,12,16H,3,7-11,13H2,1-2H3.

What are the key properties of N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine?

N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.23, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62455235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 62455235 — identifiers, structure, computed properties (public domain)

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