2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide

C19H24FIN4O — CID 110916922

IUPAC2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C19H23FN4O.HI/c20-16-6-4-5-15(13-16)18(24-9-11-25-12-10-24)14-22-19(21)23-17-7-2-1-3-8-17;/h1-8,13,18H,9-12,14H2,(H3,21,22,23);1H
InChIKeyPLNAQUWDISBZPN-UHFFFAOYSA-N
MW470.33 g/mol
LogP3.24
Rot. Bonds5

About 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide

2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide (PubChem CID 110916922) has the molecular formula C19H24FIN4O and a molecular weight of 470.33 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
PubChem CID110916922
Molecular FormulaC19H24FIN4O
Molecular Weight470.33 g/mol
Exact Mass470.10
IUPAC Name2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
SMILESI.N/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccc1
InChIInChI=1S/C19H23FN4O.HI/c20-16-6-4-5-15(13-16)18(24-9-11-25-12-10-24)14-22-19(21)23-17-7-2-1-3-8-17;/h1-8,13,18H,9-12,14H2,(H3,21,22,23);1H
InChIKeyPLNAQUWDISBZPN-UHFFFAOYSA-N
XLogP3.24
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine
CID 110925404
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120609
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-pyridin-2-ylguanidine
CID 119120610
2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111028105
2-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925124
1-(3-methylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054791
2-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide
CID 110925272
1-(4-ethylphenyl)-2-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]guanidine
CID 111054829
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-hexylguanidine;hydroiodide
CID 111085600
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111085609
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111098618
2-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111098614

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide (CID 110916922) is 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide is I.N/C(=N\CC(c1cccc(F)c1)N1CCOCC1)Nc1ccccc1.
What is the InChIKey of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide?
The InChIKey is PLNAQUWDISBZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O.HI/c20-16-6-4-5-15(13-16)18(24-9-11-25-12-10-24)14-22-19(21)23-17-7-2-1-3-8-17;/h1-8,13,18H,9-12,14H2,(H3,21,22,23);1H.
What are the key properties of 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide?
2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide has a molecular weight of 470.33 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110916922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).