Ethylnorepinephrine

C₁₀H₁₅NO₃ — CID 18538

About Ethylnorepinephrine

Ethylnorepinephrine (PubChem CID 18538) has the molecular formula C₁₀H₁₅NO₃ and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxybutyl)benzene-1,2-diol.

Molecular Properties

• Compound Name: Ethylnorepinephrine
• PubChem CID: 18538
• Molecular Formula: C₁₀H₁₅NO₃
• Molecular Weight: 197.23 g/mol
• Exact Mass: 197.11
• IUPAC Name: 4-(2-amino-1-hydroxybutyl)benzene-1,2-diol
• SMILES: CCC(N)C(O)c1ccc(O)c(O)c1
• InChI: InChI=1S/C10H15NO3/c1-2-7(11)10(14)6-3-4-8(12)9(13)5-6/h3-5,7,10,12-14H,2,11H2,1H3
• InChIKey: LENNRXOJHWNHSD-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 86.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	197.23
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethylnorepinephrine?

The IUPAC name of Ethylnorepinephrine (CID 18538) is 4-(2-amino-1-hydroxybutyl)benzene-1,2-diol.

What is the SMILES notation for Ethylnorepinephrine?

The canonical SMILES for Ethylnorepinephrine is CCC(N)C(O)c1ccc(O)c(O)c1.

What is the InChIKey of Ethylnorepinephrine?

The InChIKey is LENNRXOJHWNHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-7(11)10(14)6-3-4-8(12)9(13)5-6/h3-5,7,10,12-14H,2,11H2,1H3.

What are the key properties of Ethylnorepinephrine?

Ethylnorepinephrine has a molecular weight of 197.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethylnorepinephrine is sourced from PubChem (CID 18538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 18538 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3208 — approved-drug record (CC BY-SA 4.0)

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