1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine

C23H37FN4O3 — CID 109475253

IUPAC1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(C1CCOC1)N1CCOCC1)NCC(CC)Oc1cccc(F)c1
InChIInChI=1S/C23H37FN4O3/c1-3-20(31-21-7-5-6-19(24)14-21)15-26-23(25-4-2)27-16-22(18-8-11-30-17-18)28-9-12-29-13-10-28/h5-7,14,18,20,22H,3-4,8-13,15-17H2,1-2H3,(H2,25,26,27)
InChIKeyHYAOGKXJGVUPTI-UHFFFAOYSA-N
MW436.57 g/mol
LogP2.28
Rot. Bonds10

About 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine

1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine (PubChem CID 109475253) has the molecular formula C23H37FN4O3 and a molecular weight of 436.57 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
PubChem CID109475253
Molecular FormulaC23H37FN4O3
Molecular Weight436.57 g/mol
Exact Mass436.28
IUPAC Name1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine
SMILESCCN/C(=N\CC(C1CCOC1)N1CCOCC1)NCC(CC)Oc1cccc(F)c1
InChIInChI=1S/C23H37FN4O3/c1-3-20(31-21-7-5-6-19(24)14-21)15-26-23(25-4-2)27-16-22(18-8-11-30-17-18)28-9-12-29-13-10-28/h5-7,14,18,20,22H,3-4,8-13,15-17H2,1-2H3,(H2,25,26,27)
InChIKeyHYAOGKXJGVUPTI-UHFFFAOYSA-N
XLogP2.28
TPSA67.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.57
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-fluorophenoxy)propyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111502894
2-(2,2-difluoroethyl)-1-ethyl-3-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide
CID 109475644
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 109475994
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-(4-methylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 109475180
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 109476156
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 109475597
1-ethyl-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-3-ylpropyl)guanidine
CID 111703504
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-morpholin-4-ylethyl)guanidine
CID 111503041
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]guanidine
CID 109476349
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-(1,2-oxazol-3-ylmethyl)guanidine;hydroiodide
CID 109475940
1-ethyl-3-[2-(2-fluorophenoxy)butyl]-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111968292
N-ethyl-3-[[ethylamino-[2-(3-fluorophenoxy)butylamino]methylidene]amino]-2,2-dimethylpropanamide
CID 109476115

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The IUPAC name of 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine (CID 109475253) is 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The canonical SMILES for 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine is CCN/C(=N\CC(C1CCOC1)N1CCOCC1)NCC(CC)Oc1cccc(F)c1.
What is the InChIKey of 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
The InChIKey is HYAOGKXJGVUPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FN4O3/c1-3-20(31-21-7-5-6-19(24)14-21)15-26-23(25-4-2)27-16-22(18-8-11-30-17-18)28-9-12-29-13-10-28/h5-7,14,18,20,22H,3-4,8-13,15-17H2,1-2H3,(H2,25,26,27).
What are the key properties of 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine?
1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine has a molecular weight of 436.57 g/mol, XLogP of 2.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(3-fluorophenoxy)butyl]-2-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]guanidine is sourced from PubChem (CID 109475253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).