2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

C14H20FN3O2 — CID 76994241

IUPAC2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)CN(Cc2ccc(F)cc2C(N)=NO)CCO1
InChIInChI=1S/C14H20FN3O2/c1-14(2)9-18(5-6-20-14)8-10-3-4-11(15)7-12(10)13(16)17-19/h3-4,7,19H,5-6,8-9H2,1-2H3,(H2,16,17)
InChIKeyNALQOUZSPMKCHZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.53
Rot. Bonds3

About 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide

2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 76994241) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID76994241
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1(C)CN(Cc2ccc(F)cc2C(N)=NO)CCO1
InChIInChI=1S/C14H20FN3O2/c1-14(2)9-18(5-6-20-14)8-10-3-4-11(15)7-12(10)13(16)17-19/h3-4,7,19H,5-6,8-9H2,1-2H3,(H2,16,17)
InChIKeyNALQOUZSPMKCHZ-UHFFFAOYSA-N
XLogP1.53
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666835
2-[(2,2-dimethylmorpholin-4-yl)methyl]-4-fluorophenol
CID 103947549
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994265
4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxy-2-methoxybenzenecarboximidamide
CID 106789334
5-fluoro-N'-hydroxy-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]benzenecarboximidamide
CID 76994225
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994220
5-fluoro-N'-hydroxy-2-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzenecarboximidamide
CID 55171557
5-fluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106836113
5-fluoro-N'-hydroxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 76997460
5-fluoro-N'-hydroxy-2-[[(1-methylcyclopropyl)methylamino]methyl]benzenecarboximidamide
CID 114100382
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]-2,2-dimethylmorpholine
CID 77097951
5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744059

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 76994241) is 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is CC1(C)CN(Cc2ccc(F)cc2C(N)=NO)CCO1.
What is the InChIKey of 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is NALQOUZSPMKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-14(2)9-18(5-6-20-14)8-10-3-4-11(15)7-12(10)13(16)17-19/h3-4,7,19H,5-6,8-9H2,1-2H3,(H2,16,17).
What are the key properties of 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylmorpholin-4-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 76994241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).