1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide

C15H22F2IN3O — CID 111039863

IUPAC1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccccc1OC(F)F)NC1CCCCC1
InChIInChI=1S/C15H21F2N3O.HI/c16-14(17)21-13-9-5-4-6-11(13)10-19-15(18)20-12-7-2-1-3-8-12;/h4-6,9,12,14H,1-3,7-8,10H2,(H3,18,19,20);1H
InChIKeyVESQOHPMDFWKHM-UHFFFAOYSA-N
MW425.26 g/mol
LogP3.64
Rot. Bonds5

About 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide

1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide (PubChem CID 111039863) has the molecular formula C15H22F2IN3O and a molecular weight of 425.26 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
PubChem CID111039863
Molecular FormulaC15H22F2IN3O
Molecular Weight425.26 g/mol
Exact Mass425.08
IUPAC Name1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
SMILESI.N/C(=N\Cc1ccccc1OC(F)F)NC1CCCCC1
InChIInChI=1S/C15H21F2N3O.HI/c16-14(17)21-13-9-5-4-6-11(13)10-19-15(18)20-12-7-2-1-3-8-12;/h4-6,9,12,14H,1-3,7-8,10H2,(H3,18,19,20);1H
InChIKeyVESQOHPMDFWKHM-UHFFFAOYSA-N
XLogP3.64
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.26
LogP ≤ 53.64
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

1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine
CID 111714269
1-cyclopropyl-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine;hydroiodide
CID 110927667
1-cyclohexyl-2-[[2-(2-morpholin-4-ylethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111084070
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111039925
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111039887
2-[(4-chloro-2-methoxyphenyl)methyl]-1-cyclohexylguanidine;hydroiodide
CID 111806809
1-cycloheptyl-2-[[2-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 110028847
1-cyclohexyl-2-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111050353
1-cyclopropyl-2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 110914065
1-cyclopentyl-2-[[2-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 119146547
N-cyclohexyl-2-[[N-[[2-(difluoromethoxy)phenyl]methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111865007
1-cyclopentyl-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 47086552

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide (CID 111039863) is 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide is I.N/C(=N\Cc1ccccc1OC(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide?
The InChIKey is VESQOHPMDFWKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O.HI/c16-14(17)21-13-9-5-4-6-11(13)10-19-15(18)20-12-7-2-1-3-8-12;/h4-6,9,12,14H,1-3,7-8,10H2,(H3,18,19,20);1H.
What are the key properties of 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide?
1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide has a molecular weight of 425.26 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111039863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).