Ethylamine, 2-chloro-bis-N-(4-methylphenoxyethyl)-, hydrochloride

C20H27Cl2NO2 — CID 45334

About Ethylamine, 2-chloro-bis-N-(4-methylphenoxyethyl)-, hydrochloride

Ethylamine, 2-chloro-bis-N-(4-methylphenoxyethyl)-, hydrochloride (PubChem CID 45334) has the molecular formula C20H27Cl2NO2 and a molecular weight of 384.30 g/mol. Its IUPAC name is 2-chloroethyl-bis[2-(4-methylphenoxy)ethyl]azanium chloride.

Molecular Properties

• Compound Name: Ethylamine, 2-chloro-bis-N-(4-methylphenoxyethyl)-, hydrochloride
• PubChem CID: 45334
• Molecular Formula: C20H27Cl2NO2
• Molecular Weight: 384.30 g/mol
• Exact Mass: 383.14
• IUPAC Name: 2-chloroethyl-bis[2-(4-methylphenoxy)ethyl]azanium chloride
• SMILES: CC1=CC=C(C=C1)OCC[NH+](CCOC2=CC=C(C=C2)C)CCCl.[Cl-]
• InChIKey: BAAURVHPYJEDOO-UHFFFAOYSA-N
• XLogP: N/A
• TPSA: 22.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 25
• Complexity: 285

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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