5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide

C14H19FN2O — CID 63667480

IUPAC5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OC1CCCCC1C
InChIInChI=1S/C14H19FN2O/c1-9-4-2-3-5-12(9)18-13-7-6-10(15)8-11(13)14(16)17/h6-9,12H,2-5H2,1H3,(H3,16,17)
InChIKeyXNZUVHJGRHFFIA-UHFFFAOYSA-N
MW250.32 g/mol
LogP3.07
Rot. Bonds3

About 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide

5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide (PubChem CID 63667480) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide
PubChem CID63667480
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1OC1CCCCC1C
InChIInChI=1S/C14H19FN2O/c1-9-4-2-3-5-12(9)18-13-7-6-10(15)8-11(13)14(16)17/h6-9,12H,2-5H2,1H3,(H3,16,17)
InChIKeyXNZUVHJGRHFFIA-UHFFFAOYSA-N
XLogP3.07
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 53.07
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'}

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Related Compounds

5-chloro-2-(2-ethylcyclohexyl)oxybenzenecarboximidamide
CID 62494620
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
4-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 62924444
2-fluoro-3-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 107118111
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
CID 55233910
3-fluoro-4-(2-methylcyclohexyl)oxyaniline
CID 43123610
2-(cyclopentyloxymethyl)-5-fluorobenzenecarboximidamide
CID 63290724
4-(2-ethylcyclohexyl)oxy-3-fluorobenzenecarboximidamide
CID 43658441
5-methyl-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 114017325
2-(2-aminocyclopentyl)oxy-5-fluorobenzamide
CID 113395445
5-chloro-2-(4-methylcyclohexyl)oxybenzenecarboximidamide
CID 62494922
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide?
The IUPAC name of 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide (CID 63667480) is 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1OC1CCCCC1C.
What is the InChIKey of 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide?
The InChIKey is XNZUVHJGRHFFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-4-2-3-5-12(9)18-13-7-6-10(15)8-11(13)14(16)17/h6-9,12H,2-5H2,1H3,(H3,16,17).
What are the key properties of 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide?
5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide has a molecular weight of 250.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(2-methylcyclohexyl)oxybenzenecarboximidamide is sourced from PubChem (CID 63667480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).