1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine

C15H24FN3O — CID 111497477

IUPAC1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine
SMILESCCCN/C(=N/CC(C)Oc1ccc(F)cc1)NCC
InChIInChI=1S/C15H24FN3O/c1-4-10-18-15(17-5-2)19-11-12(3)20-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19)
InChIKeyJGVZRFHYSIMCHA-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.56
Rot. Bonds7

About 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine

1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine (PubChem CID 111497477) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine.

Molecular Properties

Compound Name1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine
PubChem CID111497477
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine
SMILESCCCN/C(=N/CC(C)Oc1ccc(F)cc1)NCC
InChIInChI=1S/C15H24FN3O/c1-4-10-18-15(17-5-2)19-11-12(3)20-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19)
InChIKeyJGVZRFHYSIMCHA-UHFFFAOYSA-N
XLogP2.56
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-[2-(4-fluorophenoxy)propyl]-3-[4-(2-methoxyethoxy)butyl]guanidine;hydroiodide
CID 111678155
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide
CID 111678856
2-[[ethylamino-[2-(4-fluorophenoxy)propylamino]methylidene]amino]-N-propylacetamide;hydroiodide
CID 111678855
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]guanidine
CID 111678614
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111677844
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111677850
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine
CID 111497311
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111678364
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111497295
2-[[[2-(4-fluorophenoxy)propylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111980066
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111497651
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-ethyl-2-[2-(4-fluorophenoxy)propyl]guanidine
CID 111677812

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine?
The IUPAC name of 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine (CID 111497477) is 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine.
What is the SMILES notation for 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine?
The canonical SMILES for 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine is CCCN/C(=N/CC(C)Oc1ccc(F)cc1)NCC.
What is the InChIKey of 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine?
The InChIKey is JGVZRFHYSIMCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-10-18-15(17-5-2)19-11-12(3)20-14-8-6-13(16)7-9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine?
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine has a molecular weight of 281.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-propylguanidine is sourced from PubChem (CID 111497477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).