Benzocaine

C₉H₁₁NO₂ — CID 2337

About Benzocaine

Benzocaine (PubChem CID 2337) has the molecular formula C₉H₁₁NO₂ and a molecular weight of 165.19 g/mol. Its IUPAC name is ethyl 4-aminobenzoate.

Molecular Properties

• Compound Name: Benzocaine
• PubChem CID: 2337
• Molecular Formula: C₉H₁₁NO₂
• Molecular Weight: 165.19 g/mol
• Exact Mass: 165.08
• IUPAC Name: ethyl 4-aminobenzoate
• SMILES: CCOC(=O)c1ccc(N)cc1
• InChI: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
• InChIKey: BLFLLBZGZJTVJG-UHFFFAOYSA-N
• XLogP: 1.45
• TPSA: 52.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.19
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Benzocaine?

The IUPAC name of Benzocaine (CID 2337) is ethyl 4-aminobenzoate.

What is the SMILES notation for Benzocaine?

The canonical SMILES for Benzocaine is CCOC(=O)c1ccc(N)cc1.

What is the InChIKey of Benzocaine?

The InChIKey is BLFLLBZGZJTVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3.

What are the key properties of Benzocaine?

Benzocaine has a molecular weight of 165.19 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Benzocaine is sourced from PubChem (CID 2337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2337 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 323 — approved-drug record (CC BY-SA 4.0)

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