1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide

C24H32FIN4O2 — CID 111309221

About 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide

1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide (PubChem CID 111309221) has the molecular formula C24H32FIN4O2 and a molecular weight of 554.45 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
• PubChem CID: 111309221
• Molecular Formula: C24H32FIN4O2
• Molecular Weight: 554.45 g/mol
• Exact Mass: 554.16
• IUPAC Name: 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide
• SMILES: C/N=C(\NCC(c1ccc(OC)cc1)N1CCOCC1)NC1CC1c1ccccc1F.I
• InChI: InChI=1S/C24H31FN4O2.HI/c1-26-24(28-22-15-20(22)19-5-3-4-6-21(19)25)27-16-23(29-11-13-31-14-12-29)17-7-9-18(30-2)10-8-17;/h3-10,20,22-23H,11-16H2,1-2H3,(H2,26,27,28);1H
• InChIKey: XPMLFOJXRHCTOP-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 58.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.45
LogP ≤ 5	3.55
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-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?

The IUPAC name of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide (CID 111309221) is 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide.

What is the SMILES notation for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?

The canonical SMILES for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide is C/N=C(\NCC(c1ccc(OC)cc1)N1CCOCC1)NC1CC1c1ccccc1F.I.

What is the InChIKey of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?

The InChIKey is XPMLFOJXRHCTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2.HI/c1-26-24(28-22-15-20(22)19-5-3-4-6-21(19)25)27-16-23(29-11-13-31-14-12-29)17-7-9-18(30-2)10-8-17;/h3-10,20,22-23H,11-16H2,1-2H3,(H2,26,27,28);1H.

What are the key properties of 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide?

1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide has a molecular weight of 554.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-fluorophenyl)cyclopropyl]-3-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111309221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).