Bephenium

C₁₇H₂₂NO+ — CID 19667

About Bephenium

Bephenium (PubChem CID 19667) has the molecular formula C₁₇H₂₂NO+ and a molecular weight of 256.37 g/mol. Its IUPAC name is benzyl-dimethyl-(2-phenoxyethyl)azanium.

Molecular Properties

• Compound Name: Bephenium
• PubChem CID: 19667
• Molecular Formula: C₁₇H₂₂NO+
• Molecular Weight: 256.37 g/mol
• Exact Mass: 256.17
• IUPAC Name: benzyl-dimethyl-(2-phenoxyethyl)azanium
• SMILES: C[N+](C)(CCOc1ccccc1)Cc1ccccc1
• InChI: InChI=1S/C17H22NO/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1
• InChIKey: AVWWVJUMXRXPNF-UHFFFAOYSA-N
• XLogP: 3.34
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	256.37
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Bephenium?

The IUPAC name of Bephenium (CID 19667) is benzyl-dimethyl-(2-phenoxyethyl)azanium.

What is the SMILES notation for Bephenium?

The canonical SMILES for Bephenium is C[N+](C)(CCOc1ccccc1)Cc1ccccc1.

What is the InChIKey of Bephenium?

The InChIKey is AVWWVJUMXRXPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22NO/c1-18(2,15-16-9-5-3-6-10-16)13-14-19-17-11-7-4-8-12-17/h3-12H,13-15H2,1-2H3/q+1.

What are the key properties of Bephenium?

Bephenium has a molecular weight of 256.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Bephenium is sourced from PubChem (CID 19667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19667 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 340 — approved-drug record (CC BY-SA 4.0)

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