2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine

C14H20FN3O — CID 136921329

IUPAC2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(C)Oc1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c1-10(2)8-17-14(16)18-9-11(3)19-13-6-4-5-12(15)7-13/h4-7,11H,1,8-9H2,2-3H3,(H3,16,17,18)
InChIKeyZJMHCMHGVKKLRC-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.07
Rot. Bonds6

About 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine

2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine (PubChem CID 136921329) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine
PubChem CID136921329
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC(C)Oc1cccc(F)c1
InChIInChI=1S/C14H20FN3O/c1-10(2)8-17-14(16)18-9-11(3)19-13-6-4-5-12(15)7-13/h4-7,11H,1,8-9H2,2-3H3,(H3,16,17,18)
InChIKeyZJMHCMHGVKKLRC-UHFFFAOYSA-N
XLogP2.07
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.07
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': 'isolated_alkene', '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)propyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111820519
1-[2-(3-fluorophenoxy)butyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111970194
2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111091866
N'-[2-(3-fluorophenoxy)propyl]morpholine-4-carboximidamide
CID 111820472
2-[[1-(3-fluorophenyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111639172
2-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136921177
2-[2-(2-fluorophenoxy)butyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921204
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111503332
1-ethyl-2-[2-(3-fluorophenoxy)propyl]-3-(2-methylcyclopropyl)guanidine
CID 111681364
N'-[2-(3-fluorophenoxy)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 111465403
2-[2-(3-methylphenoxy)propyl]-1-(2-phenylethyl)guanidine
CID 111820734

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine (CID 136921329) is 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(N)=N/CC(C)Oc1cccc(F)c1.
What is the InChIKey of 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine?
The InChIKey is ZJMHCMHGVKKLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-10(2)8-17-14(16)18-9-11(3)19-13-6-4-5-12(15)7-13/h4-7,11H,1,8-9H2,2-3H3,(H3,16,17,18).
What are the key properties of 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine?
2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine has a molecular weight of 265.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 136921329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).