Phenelzine

C₈H₁₂N₂ — CID 3675

About Phenelzine

Phenelzine (PubChem CID 3675) has the molecular formula C₈H₁₂N₂ and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-phenylethylhydrazine.

Molecular Properties

• Compound Name: Phenelzine
• PubChem CID: 3675
• Molecular Formula: C₈H₁₂N₂
• Molecular Weight: 136.20 g/mol
• Exact Mass: 136.10
• IUPAC Name: 2-phenylethylhydrazine
• SMILES: NNCCc1ccccc1
• InChI: InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
• InChIKey: RMUCZJUITONUFY-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 38.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	136.20
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Phenelzine?

The IUPAC name of Phenelzine (CID 3675) is 2-phenylethylhydrazine.

What is the SMILES notation for Phenelzine?

The canonical SMILES for Phenelzine is NNCCc1ccccc1.

What is the InChIKey of Phenelzine?

The InChIKey is RMUCZJUITONUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2.

What are the key properties of Phenelzine?

Phenelzine has a molecular weight of 136.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Phenelzine is sourced from PubChem (CID 3675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 3675 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2123 — approved-drug record (CC BY-SA 4.0)

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