1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide

C19H31FIN5O2 — CID 119141454

About 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide

1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide (PubChem CID 119141454) has the molecular formula C19H31FIN5O2 and a molecular weight of 507.39 g/mol. Its IUPAC name is 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide.

Molecular Properties

• Compound Name: 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
• PubChem CID: 119141454
• Molecular Formula: C19H31FIN5O2
• Molecular Weight: 507.39 g/mol
• Exact Mass: 507.15
• IUPAC Name: 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
• SMILES: C/N=C(/NCc1cc(F)ccc1N1CCOCC1)NCC1CN(C)CCO1.I
• InChI: InChI=1S/C19H30FN5O2.HI/c1-21-19(23-13-17-14-24(2)5-10-27-17)22-12-15-11-16(20)3-4-18(15)25-6-8-26-9-7-25;/h3-4,11,17H,5-10,12-14H2,1-2H3,(H2,21,22,23);1H
• InChIKey: SAFRZWJCRBQBCG-UHFFFAOYSA-N
• XLogP: 1.28
• TPSA: 61.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.39
LogP ≤ 5	1.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?

The IUPAC name of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide (CID 119141454) is 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide.

What is the SMILES notation for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?

The canonical SMILES for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide is C/N=C(/NCc1cc(F)ccc1N1CCOCC1)NCC1CN(C)CCO1.I.

What is the InChIKey of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?

The InChIKey is SAFRZWJCRBQBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O2.HI/c1-21-19(23-13-17-14-24(2)5-10-27-17)22-12-15-11-16(20)3-4-18(15)25-6-8-26-9-7-25;/h3-4,11,17H,5-10,12-14H2,1-2H3,(H2,21,22,23);1H.

What are the key properties of 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide?

1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide has a molecular weight of 507.39 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 119141454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).