(2,6-Dimethylphenyl) 2-(diethylamino)butanoate

C16H25NO2 — CID 15872

About (2,6-Dimethylphenyl) 2-(diethylamino)butanoate

(2,6-Dimethylphenyl) 2-(diethylamino)butanoate (PubChem CID 15872) has the molecular formula C16H25NO2 and a molecular weight of 263.37 g/mol. Its IUPAC name is (2,6-dimethylphenyl) 2-(diethylamino)butanoate.

Molecular Properties

• Compound Name: (2,6-Dimethylphenyl) 2-(diethylamino)butanoate
• PubChem CID: 15872
• Molecular Formula: C16H25NO2
• Molecular Weight: 263.37 g/mol
• Exact Mass: 263.19
• IUPAC Name: (2,6-dimethylphenyl) 2-(diethylamino)butanoate
• SMILES: CCC(C(=O)OC1=C(C=CC=C1C)C)N(CC)CC
• InChIKey: NWDASUNGNFNLAX-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 29.50 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: 266

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.37
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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