1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine

C16H24FN3O — CID 111088217

IUPAC1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
SMILESN/C(=N\CCCOc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C16H24FN3O/c17-13-7-9-15(10-8-13)21-12-4-11-19-16(18)20-14-5-2-1-3-6-14/h7-10,14H,1-6,11-12H2,(H3,18,19,20)
InChIKeyWRFZOAVIZBLTBV-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.83
Rot. Bonds6

About 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine

1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine (PubChem CID 111088217) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
PubChem CID111088217
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC Name1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine
SMILESN/C(=N\CCCOc1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C16H24FN3O/c17-13-7-9-15(10-8-13)21-12-4-11-19-16(18)20-14-5-2-1-3-6-14/h7-10,14H,1-6,11-12H2,(H3,18,19,20)
InChIKeyWRFZOAVIZBLTBV-UHFFFAOYSA-N
XLogP2.83
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-cyclohexyl-2-[2-(3,4-difluorophenoxy)ethyl]guanidine
CID 111806172
2-[2-(4-chlorophenoxy)ethyl]-1-cyclopentylguanidine;hydroiodide
CID 119117520
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine
CID 111099386
1-cyclohexyl-2-[3-[(4-methoxyphenyl)methoxy]propyl]guanidine;hydroiodide
CID 111099385
2-(3-butoxypropyl)-1-cyclopentylguanidine
CID 113229344
1-cyclohexyl-2-[2-(4-methylsulfonylphenoxy)ethyl]guanidine;hydroiodide
CID 111805015
1-cyclopropyl-2-(2-phenoxyethyl)guanidine
CID 62361569
1-cyclopropyl-3-ethyl-2-[3-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 110988257
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
1-cyclohexyl-2-[2-(3,5-difluorophenyl)ethyl]guanidine
CID 62615976
1-cyclopropyl-2-(2-phenoxyethyl)guanidine;hydrobromide
CID 126812379
2-(3-cyclohexyloxypropyl)-1-cyclopropylguanidine
CID 110914060

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine (CID 111088217) is 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine is N/C(=N\CCCOc1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine?
The InChIKey is WRFZOAVIZBLTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c17-13-7-9-15(10-8-13)21-12-4-11-19-16(18)20-14-5-2-1-3-6-14/h7-10,14H,1-6,11-12H2,(H3,18,19,20).
What are the key properties of 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine?
1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine has a molecular weight of 293.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[3-(4-fluorophenoxy)propyl]guanidine is sourced from PubChem (CID 111088217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).