Bupranolol

C₁₄H₂₂ClNO₂ — CID 2475

About Bupranolol

Bupranolol (PubChem CID 2475) has the molecular formula C₁₄H₂₂ClNO₂ and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol.

Molecular Properties

• Compound Name: Bupranolol
• PubChem CID: 2475
• Molecular Formula: C₁₄H₂₂ClNO₂
• Molecular Weight: 271.79 g/mol
• Exact Mass: 271.13
• IUPAC Name: 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol
• SMILES: Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1
• InChI: InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3
• InChIKey: HQIRNZOQPUAHHV-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.79
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Bupranolol?

The IUPAC name of Bupranolol (CID 2475) is 1-(tert-butylamino)-3-(2-chloro-5-methylphenoxy)propan-2-ol.

What is the SMILES notation for Bupranolol?

The canonical SMILES for Bupranolol is Cc1ccc(Cl)c(OCC(O)CNC(C)(C)C)c1.

What is the InChIKey of Bupranolol?

The InChIKey is HQIRNZOQPUAHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO2/c1-10-5-6-12(15)13(7-10)18-9-11(17)8-16-14(2,3)4/h5-7,11,16-17H,8-9H2,1-4H3.

What are the key properties of Bupranolol?

Bupranolol has a molecular weight of 271.79 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Bupranolol is sourced from PubChem (CID 2475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2475 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 433 — approved-drug record (CC BY-SA 4.0)

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