2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide

C10H15FIN3O — CID 111465552

IUPAC2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
SMILESCC(CN=C(N)N)Oc1ccccc1F.I
InChIInChI=1S/C10H14FN3O.HI/c1-7(6-14-10(12)13)15-9-5-3-2-4-8(9)11;/h2-5,7H,6H2,1H3,(H4,12,13,14);1H
InChIKeyPGLHBIWWQDBEJD-UHFFFAOYSA-N
MW339.15 g/mol
LogP1.48
Rot. Bonds4

About 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide

2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide (PubChem CID 111465552) has the molecular formula C10H15FIN3O and a molecular weight of 339.15 g/mol. Its IUPAC name is 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
PubChem CID111465552
Molecular FormulaC10H15FIN3O
Molecular Weight339.15 g/mol
Exact Mass339.02
IUPAC Name2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
SMILESCC(CN=C(N)N)Oc1ccccc1F.I
InChIInChI=1S/C10H14FN3O.HI/c1-7(6-14-10(12)13)15-9-5-3-2-4-8(9)11;/h2-5,7H,6H2,1H3,(H4,12,13,14);1H
InChIKeyPGLHBIWWQDBEJD-UHFFFAOYSA-N
XLogP1.48
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.15
LogP ≤ 51.48
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-fluorophenoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 111820619
1-butyl-2-[2-(2-fluorophenoxy)propyl]guanidine
CID 111684162
N'-[2-(2-fluorophenoxy)propyl]thiomorpholine-4-carboximidamide
CID 111820650
1-fluoro-2-(1-isocyanatopropan-2-yloxy)benzene
CID 84773332
2-(2-fluorophenoxy)propan-1-amine;hydrochloride
CID 86262696
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820651
2-[2-(2-fluorophenoxy)butyl]-1-propan-2-ylguanidine
CID 111752698
1-[2-(diethylsulfamoyl)ethyl]-3-ethyl-2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111987932
1-ethyl-2-[2-(2-fluorophenoxy)propyl]-3-[3-(methanesulfonamido)propyl]guanidine;hydroiodide
CID 111685107
N-[2-[[N-ethyl-N'-[2-(2-fluorophenoxy)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111684644
1-[4-[[N-ethyl-N'-[2-(2-fluorophenoxy)propyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide;hydroiodide
CID 111684317
1-ethyl-2-[2-(2-fluorophenoxy)propyl]-3-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 111684470

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide (CID 111465552) is 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide is CC(CN=C(N)N)Oc1ccccc1F.I.
What is the InChIKey of 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide?
The InChIKey is PGLHBIWWQDBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O.HI/c1-7(6-14-10(12)13)15-9-5-3-2-4-8(9)11;/h2-5,7H,6H2,1H3,(H4,12,13,14);1H.
What are the key properties of 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide?
2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide has a molecular weight of 339.15 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenoxy)propyl]guanidine;hydroiodide is sourced from PubChem (CID 111465552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).