1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide

C19H24FIN4O — CID 111091803

IUPAC1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Oc2cccc(F)c2)nc1)NC1CCCCC1
InChIInChI=1S/C19H23FN4O.HI/c20-15-5-4-8-17(11-15)25-18-10-9-14(12-22-18)13-23-19(21)24-16-6-2-1-3-7-16;/h4-5,8-12,16H,1-3,6-7,13H2,(H3,21,23,24);1H
InChIKeyRAOFRVWQMHPMIB-UHFFFAOYSA-N
MW470.33 g/mol
LogP4.37
Rot. Bonds5

About 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide

1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide (PubChem CID 111091803) has the molecular formula C19H24FIN4O and a molecular weight of 470.33 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
PubChem CID111091803
Molecular FormulaC19H24FIN4O
Molecular Weight470.33 g/mol
Exact Mass470.10
IUPAC Name1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccc(Oc2cccc(F)c2)nc1)NC1CCCCC1
InChIInChI=1S/C19H23FN4O.HI/c20-15-5-4-8-17(11-15)25-18-10-9-14(12-22-18)13-23-19(21)24-16-6-2-1-3-7-16;/h4-5,8-12,16H,1-3,6-7,13H2,(H3,21,23,24);1H
InChIKeyRAOFRVWQMHPMIB-UHFFFAOYSA-N
XLogP4.37
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.33
LogP ≤ 54.37
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-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111091804
1-cyclopropyl-3-ethyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 110988546
1-cyclopropyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-methylguanidine;hydroiodide
CID 110030789
1-butan-2-yl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 110920748
2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111091866
2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111091794
2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]-1-(1-methoxypropan-2-yl)guanidine
CID 111091876
N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 111091805
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111091824
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111041906
1-(cyclobutylmethyl)-2-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydrobromide
CID 167902962
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide (CID 111091803) is 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1ccc(Oc2cccc(F)c2)nc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The InChIKey is RAOFRVWQMHPMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O.HI/c20-15-5-4-8-17(11-15)25-18-10-9-14(12-22-18)13-23-19(21)24-16-6-2-1-3-7-16;/h4-5,8-12,16H,1-3,6-7,13H2,(H3,21,23,24);1H.
What are the key properties of 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide has a molecular weight of 470.33 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111091803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).