1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

C19H35IN4O2 — CID 111682543

About 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide

1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (PubChem CID 111682543) has the molecular formula C19H35IN4O2 and a molecular weight of 478.42 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
• PubChem CID: 111682543
• Molecular Formula: C19H35IN4O2
• Molecular Weight: 478.42 g/mol
• Exact Mass: 478.18
• IUPAC Name: 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide
• SMILES: CCN/C(=N\CC(C)Oc1ccccc1OC)NCCN(CC)CC.I
• InChI: InChI=1S/C19H34N4O2.HI/c1-6-20-19(21-13-14-23(7-2)8-3)22-15-16(4)25-18-12-10-9-11-17(18)24-5;/h9-12,16H,6-8,13-15H2,1-5H3,(H2,20,21,22);1H
• InChIKey: IBSAIEYLAHMZEB-UHFFFAOYSA-N
• XLogP: 2.98
• TPSA: 58.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.42
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?

The IUPAC name of 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide (CID 111682543) is 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide.

What is the SMILES notation for 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?

The canonical SMILES for 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is CCN/C(=N\CC(C)Oc1ccccc1OC)NCCN(CC)CC.I.

What is the InChIKey of 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?

The InChIKey is IBSAIEYLAHMZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2.HI/c1-6-20-19(21-13-14-23(7-2)8-3)22-15-16(4)25-18-12-10-9-11-17(18)24-5;/h9-12,16H,6-8,13-15H2,1-5H3,(H2,20,21,22);1H.

What are the key properties of 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide?

1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide has a molecular weight of 478.42 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(diethylamino)ethyl]-3-ethyl-2-[2-(2-methoxyphenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111682543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).