Amylocaine

C₁₄H₂₁NO₂ — CID 10767

About Amylocaine

Amylocaine (PubChem CID 10767) has the molecular formula C₁₄H₂₁NO₂ and a molecular weight of 235.33 g/mol. Its IUPAC name is [1-(dimethylamino)-2-methylbutan-2-yl] benzoate.

Molecular Properties

• Compound Name: Amylocaine
• PubChem CID: 10767
• Molecular Formula: C₁₄H₂₁NO₂
• Molecular Weight: 235.33 g/mol
• Exact Mass: 235.16
• IUPAC Name: [1-(dimethylamino)-2-methylbutan-2-yl] benzoate
• SMILES: CCC(C)(CN(C)C)OC(=O)c1ccccc1
• InChI: InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3
• InChIKey: FDMBBCOBEAVDAO-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.33
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Amylocaine?

The IUPAC name of Amylocaine (CID 10767) is [1-(dimethylamino)-2-methylbutan-2-yl] benzoate.

What is the SMILES notation for Amylocaine?

The canonical SMILES for Amylocaine is CCC(C)(CN(C)C)OC(=O)c1ccccc1.

What is the InChIKey of Amylocaine?

The InChIKey is FDMBBCOBEAVDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(2,11-15(3)4)17-13(16)12-9-7-6-8-10-12/h6-10H,5,11H2,1-4H3.

What are the key properties of Amylocaine?

Amylocaine has a molecular weight of 235.33 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Amylocaine is sourced from PubChem (CID 10767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 10767 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 206 — approved-drug record (CC BY-SA 4.0)

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