Tetracaine

C₁₅H₂₄N₂O₂ — CID 5411

About Tetracaine

Tetracaine (PubChem CID 5411) has the molecular formula C₁₅H₂₄N₂O₂ and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-(butylamino)benzoate.

Molecular Properties

• Compound Name: Tetracaine
• PubChem CID: 5411
• Molecular Formula: C₁₅H₂₄N₂O₂
• Molecular Weight: 264.37 g/mol
• Exact Mass: 264.18
• IUPAC Name: 2-(dimethylamino)ethyl 4-(butylamino)benzoate
• SMILES: CCCCNc1ccc(C(=O)OCCN(C)C)cc1
• InChI: InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3
• InChIKey: GKCBAIGFKIBETG-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.37
LogP ≤ 5	2.62
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 Tetracaine?

The IUPAC name of Tetracaine (CID 5411) is 2-(dimethylamino)ethyl 4-(butylamino)benzoate.

What is the SMILES notation for Tetracaine?

The canonical SMILES for Tetracaine is CCCCNc1ccc(C(=O)OCCN(C)C)cc1.

What is the InChIKey of Tetracaine?

The InChIKey is GKCBAIGFKIBETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3/h6-9,16H,4-5,10-12H2,1-3H3.

What are the key properties of Tetracaine?

Tetracaine has a molecular weight of 264.37 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Tetracaine is sourced from PubChem (CID 5411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5411 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2610 — approved-drug record (CC BY-SA 4.0)

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