2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide

C11H17FIN3O — CID 111970141

IUPAC2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide
SMILESCCC(CN=C(N)N)Oc1cccc(F)c1.I
InChIInChI=1S/C11H16FN3O.HI/c1-2-9(7-15-11(13)14)16-10-5-3-4-8(12)6-10;/h3-6,9H,2,7H2,1H3,(H4,13,14,15);1H
InChIKeyYPNABXZLONHFAU-UHFFFAOYSA-N
MW353.18 g/mol
LogP1.87
Rot. Bonds5

About 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide

2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide (PubChem CID 111970141) has the molecular formula C11H17FIN3O and a molecular weight of 353.18 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide
PubChem CID111970141
Molecular FormulaC11H17FIN3O
Molecular Weight353.18 g/mol
Exact Mass353.04
IUPAC Name2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide
SMILESCCC(CN=C(N)N)Oc1cccc(F)c1.I
InChIInChI=1S/C11H16FN3O.HI/c1-2-9(7-15-11(13)14)16-10-5-3-4-8(12)6-10;/h3-6,9H,2,7H2,1H3,(H4,13,14,15);1H
InChIKeyYPNABXZLONHFAU-UHFFFAOYSA-N
XLogP1.87
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.18
LogP ≤ 51.87
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

2-[(2S)-2-(3-fluorophenoxy)butyl]-1,1-dimethylguanidine
CID 97014177
2-[2-(3-fluorophenoxy)butyl]-1,1,3,3-tetramethylguanidine;hydroiodide
CID 111970238
N'-[2-(3-fluorophenoxy)butyl]thiomorpholine-4-carboximidamide
CID 111970223
1-[2-(3-fluorophenoxy)butyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111970194
2-[2-(3-fluorophenoxy)butyl]-1-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111970244
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(2-sulfamoylethyl)guanidine;hydroiodide
CID 109475920
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-(2-methoxyethyl)guanidine
CID 109475869
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[2-(methanesulfonamido)ethyl]guanidine;hydroiodide
CID 109475254
2-(2,2-difluoroethyl)-1-ethyl-3-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide
CID 109475644
methyl 5-[[N-ethyl-N'-[2-(3-fluorophenoxy)butyl]carbamimidoyl]amino]pentanoate;hydroiodide
CID 109476140
N-ethyl-2-(3-fluorophenoxy)butan-1-amine
CID 62459043
1-ethyl-2-[2-(3-fluorophenoxy)butyl]-3-[2-(4-sulfamoylphenyl)ethyl]guanidine;hydroiodide
CID 109475566

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide?
The IUPAC name of 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide (CID 111970141) is 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide?
The canonical SMILES for 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide is CCC(CN=C(N)N)Oc1cccc(F)c1.I.
What is the InChIKey of 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide?
The InChIKey is YPNABXZLONHFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O.HI/c1-2-9(7-15-11(13)14)16-10-5-3-4-8(12)6-10;/h3-6,9H,2,7H2,1H3,(H4,13,14,15);1H.
What are the key properties of 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide?
2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide has a molecular weight of 353.18 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)butyl]guanidine;hydroiodide is sourced from PubChem (CID 111970141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).