Benzoic acid, 2-(N-methyl-N-(3-phenylpropyl)amino)ethyl ester, hydrochloride

C19H24ClNO2 — CID 48952

About Benzoic acid, 2-(N-methyl-N-(3-phenylpropyl)amino)ethyl ester, hydrochloride

Benzoic acid, 2-(N-methyl-N-(3-phenylpropyl)amino)ethyl ester, hydrochloride (PubChem CID 48952) has the molecular formula C19H24ClNO2 and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-benzoyloxyethyl-methyl-(3-phenylpropyl)azanium chloride.

Molecular Properties

• Compound Name: Benzoic acid, 2-(N-methyl-N-(3-phenylpropyl)amino)ethyl ester, hydrochloride
• PubChem CID: 48952
• Molecular Formula: C19H24ClNO2
• Molecular Weight: 333.80 g/mol
• Exact Mass: 333.15
• IUPAC Name: 2-benzoyloxyethyl-methyl-(3-phenylpropyl)azanium chloride
• SMILES: C[NH+](CCCC1=CC=CC=C1)CCOC(=O)C2=CC=CC=C2.[Cl-]
• InChIKey: KLNXMFDXIFKFIY-UHFFFAOYSA-N
• XLogP: N/A
• TPSA: 30.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 23
• Complexity: 307

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3