2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide

C15H25FIN3O2 — CID 111895756

IUPAC2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCOCC)NCCOc1cccc(F)c1.I
InChIInChI=1S/C15H24FN3O2.HI/c1-3-17-15(18-8-10-20-4-2)19-9-11-21-14-7-5-6-13(16)12-14;/h5-7,12H,3-4,8-11H2,1-2H3,(H2,17,18,19);1H
InChIKeyZAVROWLPJHCVMC-UHFFFAOYSA-N
MW425.29 g/mol
LogP2.41
Rot. Bonds9

About 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide

2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide (PubChem CID 111895756) has the molecular formula C15H25FIN3O2 and a molecular weight of 425.29 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
PubChem CID111895756
Molecular FormulaC15H25FIN3O2
Molecular Weight425.29 g/mol
Exact Mass425.10
IUPAC Name2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCOCC)NCCOc1cccc(F)c1.I
InChIInChI=1S/C15H24FN3O2.HI/c1-3-17-15(18-8-10-20-4-2)19-9-11-21-14-7-5-6-13(16)12-14;/h5-7,12H,3-4,8-11H2,1-2H3,(H2,17,18,19);1H
InChIKeyZAVROWLPJHCVMC-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
CID 111151555
1,3-diethyl-2-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
CID 110926794
1-(2-ethoxyethyl)-3-[2-(3-fluorophenoxy)ethyl]-2-methylguanidine
CID 111894291
1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine
CID 111180331
2-benzyl-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine
CID 110952618
1-ethyl-2-[2-(3-fluorophenoxy)ethyl]-3-prop-2-enylguanidine;hydroiodide
CID 136925495
1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111643522
1-[2-(3-chlorophenoxy)ethyl]-2-(4-ethoxybutyl)-3-ethylguanidine
CID 111944851
1-(2-ethoxyethyl)-3-ethyl-2-[(3-fluorophenyl)methyl]guanidine
CID 111876017
1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-[2-(2-hydroxyethyl)pentyl]guanidine;hydroiodide
CID 111712670
2-(4-ethoxybutyl)-1-ethyl-3-[2-(3-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111395104
2-(4-ethoxybutyl)-1-ethyl-3-(2-phenoxyethyl)guanidine
CID 111005039

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide (CID 111895756) is 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide is CCN/C(=N\CCOCC)NCCOc1cccc(F)c1.I.
What is the InChIKey of 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide?
The InChIKey is ZAVROWLPJHCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2.HI/c1-3-17-15(18-8-10-20-4-2)19-9-11-21-14-7-5-6-13(16)12-14;/h5-7,12H,3-4,8-11H2,1-2H3,(H2,17,18,19);1H.
What are the key properties of 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide?
2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide has a molecular weight of 425.29 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111895756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).