2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide

C17H21FIN3O2 — CID 111820519

IUPAC2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CC(C)Oc2cccc(F)c2)c1.I
InChIInChI=1S/C17H20FN3O2.HI/c1-12(23-16-8-3-5-13(18)9-16)11-20-17(19)21-14-6-4-7-15(10-14)22-2;/h3-10,12H,11H2,1-2H3,(H3,19,20,21);1H
InChIKeyVSNKWFFWUGZDAU-UHFFFAOYSA-N
MW445.28 g/mol
LogP3.65
Rot. Bonds6

About 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide

2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (PubChem CID 111820519) has the molecular formula C17H21FIN3O2 and a molecular weight of 445.28 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
PubChem CID111820519
Molecular FormulaC17H21FIN3O2
Molecular Weight445.28 g/mol
Exact Mass445.07
IUPAC Name2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CC(C)Oc2cccc(F)c2)c1.I
InChIInChI=1S/C17H20FN3O2.HI/c1-12(23-16-8-3-5-13(18)9-16)11-20-17(19)21-14-6-4-7-15(10-14)22-2;/h3-10,12H,11H2,1-2H3,(H3,19,20,21);1H
InChIKeyVSNKWFFWUGZDAU-UHFFFAOYSA-N
XLogP3.65
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.28
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(3,5-dimethylphenyl)-2-[2-(3-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820505
2-[2-(3-fluorophenoxy)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111057887
1-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 111820299
2-[2-(3-methylphenoxy)propyl]-1-phenylguanidine;hydroiodide
CID 111465350
2-[2-(3-chlorophenoxy)propyl]-1-(4-methoxyphenyl)guanidine
CID 111821629
2-[2-(3-fluorophenyl)-2-methylpropyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111816381
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(3-fluorophenyl)-2-(2-methylpropyl)guanidine
CID 62379621
2-(2-phenoxypropyl)-1-phenylguanidine
CID 111179320
2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921329
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
1-(3-methoxyphenyl)-2-[2-(3-methylphenoxy)butyl]guanidine;hydroiodide
CID 111800259

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide (CID 111820519) is 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is COc1cccc(N/C(N)=N/CC(C)Oc2cccc(F)c2)c1.I.
What is the InChIKey of 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
The InChIKey is VSNKWFFWUGZDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2.HI/c1-12(23-16-8-3-5-13(18)9-16)11-20-17(19)21-14-6-4-7-15(10-14)22-2;/h3-10,12H,11H2,1-2H3,(H3,19,20,21);1H.
What are the key properties of 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide?
2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide has a molecular weight of 445.28 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111820519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).