Clenbuterol

C₁₂H₁₈Cl₂N₂O — CID 2783

About Clenbuterol

Clenbuterol (PubChem CID 2783) has the molecular formula C₁₂H₁₈Cl₂N₂O and a molecular weight of 277.20 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol.

Molecular Properties

• Compound Name: Clenbuterol
• PubChem CID: 2783
• Molecular Formula: C₁₂H₁₈Cl₂N₂O
• Molecular Weight: 277.20 g/mol
• Exact Mass: 276.08
• IUPAC Name: 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol
• SMILES: CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
• InChI: InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3
• InChIKey: STJMRWALKKWQGH-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 58.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.20
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	3
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 Clenbuterol?

The IUPAC name of Clenbuterol (CID 2783) is 1-(4-amino-3,5-dichlorophenyl)-2-(tert-butylamino)ethanol.

What is the SMILES notation for Clenbuterol?

The canonical SMILES for Clenbuterol is CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1.

What is the InChIKey of Clenbuterol?

The InChIKey is STJMRWALKKWQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3.

What are the key properties of Clenbuterol?

Clenbuterol has a molecular weight of 277.20 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Clenbuterol is sourced from PubChem (CID 2783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2783 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 673 — approved-drug record (CC BY-SA 4.0)

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