3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide

C14H20FN3O2 — CID 114777089

IUPAC3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(CO)OC(C)(C)C2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c1-14(2)8-18(6-10(7-19)20-14)12-4-3-9(13(16)17)5-11(12)15/h3-5,10,19H,6-8H2,1-2H3,(H3,16,17)
InChIKeyJSFZZTIWPBDDKT-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.09
Rot. Bonds3

About 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide

3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide (PubChem CID 114777089) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
PubChem CID114777089
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(CO)OC(C)(C)C2)c(F)c1
InChIInChI=1S/C14H20FN3O2/c1-14(2)8-18(6-10(7-19)20-14)12-4-3-9(13(16)17)5-11(12)15/h3-5,10,19H,6-8H2,1-2H3,(H3,16,17)
InChIKeyJSFZZTIWPBDDKT-UHFFFAOYSA-N
XLogP1.09
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

(2R)-4-amino-6-(3-fluoro-4-morpholin-4-ylphenyl)-3-imino-2H-pyridin-2-ol
CID 90213190
1-[(2-Methylpropan-2-yl)oxy]-3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 3350597
2-[(Z)-1-(3-fluoro-4-morpholin-4-ylphenyl)ethylideneamino]guanidine
CID 9017503
2-(2,6-Dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43153707
4-(2,6-Dimethylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320915
4-(2-Methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320917
4-(4-Hydroxypiperidin-1-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320922
N'-hydroxy-4-(2-methylmorpholin-4-yl)-2-(trifluoromethyl)benzenecarboximidamide
CID 43320950
N'-hydroxy-2-(2-methylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331336
2-(2-Methylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331350
2-(4-Hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43331359
2-(2,5-Dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzenecarboximidamide
CID 43544649

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide (CID 114777089) is 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(CO)OC(C)(C)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The InChIKey is JSFZZTIWPBDDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2)8-18(6-10(7-19)20-14)12-4-3-9(13(16)17)5-11(12)15/h3-5,10,19H,6-8H2,1-2H3,(H3,16,17).
What are the key properties of 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 114777089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).