Nomifensine

C₁₆H₁₈N₂ — CID 4528

About Nomifensine

Nomifensine (PubChem CID 4528) has the molecular formula C₁₆H₁₈N₂ and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

• Compound Name: Nomifensine
• PubChem CID: 4528
• Molecular Formula: C₁₆H₁₈N₂
• Molecular Weight: 238.33 g/mol
• Exact Mass: 238.15
• IUPAC Name: 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine
• SMILES: CN1Cc2c(N)cccc2C(c2ccccc2)C1
• InChI: InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3
• InChIKey: XXPANQJNYNUNES-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 29.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.33
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Nomifensine?

The IUPAC name of Nomifensine (CID 4528) is 2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine.

What is the SMILES notation for Nomifensine?

The canonical SMILES for Nomifensine is CN1Cc2c(N)cccc2C(c2ccccc2)C1.

What is the InChIKey of Nomifensine?

The InChIKey is XXPANQJNYNUNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3.

What are the key properties of Nomifensine?

Nomifensine has a molecular weight of 238.33 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Nomifensine is sourced from PubChem (CID 4528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 4528 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1958 — approved-drug record (CC BY-SA 4.0)

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