1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine

C15H24FN3O — CID 111180331

IUPAC1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCOc1cccc(F)c1
InChIInChI=1S/C15H24FN3O/c1-4-17-15(19-11-12(2)3)18-8-9-20-14-7-5-6-13(16)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,17,18,19)
InChIKeyIUBUGZWGGVELBV-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.42
Rot. Bonds7

About 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine

1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 111180331) has the molecular formula C15H24FN3O and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine
PubChem CID111180331
Molecular FormulaC15H24FN3O
Molecular Weight281.37 g/mol
Exact Mass281.19
IUPAC Name1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine
SMILESCCN/C(=N\CC(C)C)NCCOc1cccc(F)c1
InChIInChI=1S/C15H24FN3O/c1-4-17-15(19-11-12(2)3)18-8-9-20-14-7-5-6-13(16)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,17,18,19)
InChIKeyIUBUGZWGGVELBV-UHFFFAOYSA-N
XLogP2.42
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712670
2-butyl-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
CID 111151555
2-benzyl-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine
CID 110952618
2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
CID 111895756
2-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine
CID 111702025
1,3-diethyl-2-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
CID 110926794
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 109475869
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine
CID 111201438
N-[3-[2-[[N-ethyl-N'-[2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111395809
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine
CID 109429901
1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111954458
1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111522782

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine (CID 111180331) is 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine is CCN/C(=N\CC(C)C)NCCOc1cccc(F)c1.
What is the InChIKey of 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is IUBUGZWGGVELBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-4-17-15(19-11-12(2)3)18-8-9-20-14-7-5-6-13(16)10-14/h5-7,10,12H,4,8-9,11H2,1-3H3,(H2,17,18,19).
What are the key properties of 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine?
1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 281.37 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 111180331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).