Adiphenine

C₂₀H₂₅NO₂ — CID 2031

About Adiphenine

Adiphenine (PubChem CID 2031) has the molecular formula C₂₀H₂₅NO₂ and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2,2-diphenylacetate.

Molecular Properties

• Compound Name: Adiphenine
• PubChem CID: 2031
• Molecular Formula: C₂₀H₂₅NO₂
• Molecular Weight: 311.43 g/mol
• Exact Mass: 311.19
• IUPAC Name: 2-(diethylamino)ethyl 2,2-diphenylacetate
• SMILES: CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3
• InChIKey: JGOAIQNSOGZNBX-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 29.54 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	311.43
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of Adiphenine?

The IUPAC name of Adiphenine (CID 2031) is 2-(diethylamino)ethyl 2,2-diphenylacetate.

What is the SMILES notation for Adiphenine?

The canonical SMILES for Adiphenine is CCN(CC)CCOC(=O)C(c1ccccc1)c1ccccc1.

What is the InChIKey of Adiphenine?

The InChIKey is JGOAIQNSOGZNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,19H,3-4,15-16H2,1-2H3.

What are the key properties of Adiphenine?

Adiphenine has a molecular weight of 311.43 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Adiphenine is sourced from PubChem (CID 2031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 2031 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 94 — approved-drug record (CC BY-SA 4.0)

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