1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine

C22H31FN4O2 — CID 111362507

IUPAC1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)NCCc1ccccc1F
InChIInChI=1S/C22H31FN4O2/c1-3-24-22(25-11-10-18-6-4-5-7-19(18)23)26-16-20(21-9-8-17(2)29-21)27-12-14-28-15-13-27/h4-9,20H,3,10-16H2,1-2H3,(H2,24,25,26)
InChIKeyUYOXWRMZCCNUQM-UHFFFAOYSA-N
MW402.51 g/mol
LogP2.90
Rot. Bonds8

About 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine

1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine (PubChem CID 111362507) has the molecular formula C22H31FN4O2 and a molecular weight of 402.51 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
PubChem CID111362507
Molecular FormulaC22H31FN4O2
Molecular Weight402.51 g/mol
Exact Mass402.24
IUPAC Name1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
SMILESCCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)NCCc1ccccc1F
InChIInChI=1S/C22H31FN4O2/c1-3-24-22(25-11-10-18-6-4-5-7-19(18)23)26-16-20(21-9-8-17(2)29-21)27-12-14-28-15-13-27/h4-9,20H,3,10-16H2,1-2H3,(H2,24,25,26)
InChIKeyUYOXWRMZCCNUQM-UHFFFAOYSA-N
XLogP2.90
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.51
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111340262
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(3-phenylpropyl)guanidine;hydroiodide
CID 111199167
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-morpholin-4-yl-2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111284704
1-ethyl-3-[2-(1H-indol-3-yl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 110997165
1-[2-(2-butoxyethoxy)ethyl]-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111693716
1-(4-ethoxybutyl)-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 111946142
1-[2-(2,3-difluorophenyl)ethyl]-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111566786
1-(3-ethoxy-4-methylpentyl)-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111718374
1-ethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110972438
1,3-diethyl-2-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110927951
1-ethyl-3-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-2-[(2-methylphenyl)methyl]guanidine
CID 111360323
1-cyclohexyl-3-ethyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110959034

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine (CID 111362507) is 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine is CCN/C(=N\CC(c1ccc(C)o1)N1CCOCC1)NCCc1ccccc1F.
What is the InChIKey of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
The InChIKey is UYOXWRMZCCNUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O2/c1-3-24-22(25-11-10-18-6-4-5-7-19(18)23)26-16-20(21-9-8-17(2)29-21)27-12-14-28-15-13-27/h4-9,20H,3,10-16H2,1-2H3,(H2,24,25,26).
What are the key properties of 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine?
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine has a molecular weight of 402.51 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine is sourced from PubChem (CID 111362507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).