5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide

C15H21FN2O — CID 63290728

IUPAC5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COC1CCCCC1C
InChIInChI=1S/C15H21FN2O/c1-10-4-2-3-5-14(10)19-9-11-6-7-12(16)8-13(11)15(17)18/h6-8,10,14H,2-5,9H2,1H3,(H3,17,18)
InChIKeyUOMJIRGAAVHQRK-UHFFFAOYSA-N
MW264.34 g/mol
LogP3.21
Rot. Bonds4

About 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide

5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide (PubChem CID 63290728) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide.

Molecular Properties

Compound Name5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
PubChem CID63290728
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1COC1CCCCC1C
InChIInChI=1S/C15H21FN2O/c1-10-4-2-3-5-14(10)19-9-11-6-7-12(16)8-13(11)15(17)18/h6-8,10,14H,2-5,9H2,1H3,(H3,17,18)
InChIKeyUOMJIRGAAVHQRK-UHFFFAOYSA-N
XLogP3.21
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.21
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

3-Methoxy-1H-isoindol-1-imine
CID 12328983
3-ethoxy-7-fluoro-3H-isoindol-1-amine
CID 151103971
2-(4,4-difluorocyclohexyl)-6-(ethoxymethyl)-N'-hydrazinylbenzenecarboximidamide;ethane
CID 170757040
ethane;2-(ethoxymethyl)-N'-hydrazinyl-6-[4-(trifluoromethyl)cyclohexyl]benzenecarboximidamide
CID 170757378
N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
CID 9116988
N'-[(3-fluorophenyl)methoxy]-2-methylbenzenecarboximidamide
CID 9754389
2-(2,2,2-Trifluoroethoxymethyl)benzenecarboximidamide
CID 24689821
4-(Ethoxymethyl)-3-fluorobenzenecarboximidamide
CID 24689913
3-fluoro-N'-hydroxy-4-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 24690688
3-Fluoro-4-(methoxymethyl)benzenecarboximidamide
CID 24690922
4-(Cyclopentyloxymethyl)-3-fluorobenzenecarboximidamide
CID 24691775
3-fluoro-N'-hydroxy-4-[(4-methylcyclohexyl)oxymethyl]benzenecarboximidamide
CID 24692373

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The IUPAC name of 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide (CID 63290728) is 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide.
What is the SMILES notation for 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The canonical SMILES for 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1COC1CCCCC1C.
What is the InChIKey of 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
The InChIKey is UOMJIRGAAVHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-10-4-2-3-5-14(10)19-9-11-6-7-12(16)8-13(11)15(17)18/h6-8,10,14H,2-5,9H2,1H3,(H3,17,18).
What are the key properties of 5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide?
5-fluoro-2-[(2-methylcyclohexyl)oxymethyl]benzenecarboximidamide has a molecular weight of 264.34 g/mol, XLogP of 3.21, 4 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)oxymethyl]benzenecarboximidamide is sourced from PubChem (CID 63290728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).