1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine

C22H30FN5O2 — CID 111837842

IUPAC1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine
SMILESCCN/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)NCCOc1cccnc1
InChIInChI=1S/C22H30FN5O2/c1-2-25-22(26-10-13-30-20-4-3-9-24-16-20)27-17-21(28-11-14-29-15-12-28)18-5-7-19(23)8-6-18/h3-9,16,21H,2,10-15,17H2,1H3,(H2,25,26,27)
InChIKeyGHYPDXZPYAKCJB-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.23
Rot. Bonds9

About 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine

1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine (PubChem CID 111837842) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine
PubChem CID111837842
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC Name1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine
SMILESCCN/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)NCCOc1cccnc1
InChIInChI=1S/C22H30FN5O2/c1-2-25-22(26-10-13-30-20-4-3-9-24-16-20)27-17-21(28-11-14-29-15-12-28)18-5-7-19(23)8-6-18/h3-9,16,21H,2,10-15,17H2,1H3,(H2,25,26,27)
InChIKeyGHYPDXZPYAKCJB-UHFFFAOYSA-N
XLogP2.23
TPSA71.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methyl-3-(2-pyridin-3-yloxyethyl)guanidine;hydroiodide
CID 111837879
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402282
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-hydroxyethyl)guanidine;hydroiodide
CID 111312025
1-ethyl-2-(2-morpholin-4-ylethyl)-3-(2-pyridin-3-yloxyethyl)guanidine
CID 111835729
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methylbutyl)guanidine
CID 110978529
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(5-methoxypentyl)guanidine
CID 111312546
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine
CID 111312662
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111311917
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111312475
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(3-hydroxyphenyl)ethyl]guanidine
CID 111312182
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[4-(2-methoxyethoxy)butyl]guanidine
CID 111312320
1-tert-butyl-3-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]guanidine;hydroiodide
CID 110966215

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine?
The IUPAC name of 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine (CID 111837842) is 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine is CCN/C(=N\CC(c1ccc(F)cc1)N1CCOCC1)NCCOc1cccnc1.
What is the InChIKey of 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine?
The InChIKey is GHYPDXZPYAKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-2-25-22(26-10-13-30-20-4-3-9-24-16-20)27-17-21(28-11-14-29-15-12-28)18-5-7-19(23)8-6-18/h3-9,16,21H,2,10-15,17H2,1H3,(H2,25,26,27).
What are the key properties of 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine?
1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine has a molecular weight of 415.51 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-pyridin-3-yloxyethyl)guanidine is sourced from PubChem (CID 111837842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).