Ammonium, (p-hydroxyphenethyl)trimethyl-, iodide, dimethylcarbamate

C14H23IN2O2 — CID 46561

About Ammonium, (p-hydroxyphenethyl)trimethyl-, iodide, dimethylcarbamate

Ammonium, (p-hydroxyphenethyl)trimethyl-, iodide, dimethylcarbamate (PubChem CID 46561) has the molecular formula C14H23IN2O2 and a molecular weight of 378.25 g/mol. Its IUPAC name is 2-[4-(dimethylcarbamoyloxy)phenyl]ethyl-trimethylazanium iodide.

Molecular Properties

• Compound Name: Ammonium, (p-hydroxyphenethyl)trimethyl-, iodide, dimethylcarbamate
• PubChem CID: 46561
• Molecular Formula: C14H23IN2O2
• Molecular Weight: 378.25 g/mol
• Exact Mass: 378.08
• IUPAC Name: 2-[4-(dimethylcarbamoyloxy)phenyl]ethyl-trimethylazanium iodide
• SMILES: CN(C)C(=O)OC1=CC=C(C=C1)CC[N+](C)(C)C.[I-]
• InChIKey: WHZMLPCDGFGLPB-UHFFFAOYSA-M
• XLogP: N/A
• TPSA: 29.50 Ų
• H-Bond Donors: 0
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: 263

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}