4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide

C13H18FN3O2 — CID 43658211

IUPAC4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1COCCN1c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C13H18FN3O2/c1-2-10-8-19-6-5-17(10)12-4-3-9(7-11(12)14)13(15)16-18/h3-4,7,10,18H,2,5-6,8H2,1H3,(H2,15,16)
InChIKeyGTHVNTFANGFXSJ-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.54
Rot. Bonds3

About 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide

4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43658211) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43658211
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1COCCN1c1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C13H18FN3O2/c1-2-10-8-19-6-5-17(10)12-4-3-9(7-11(12)14)13(15)16-18/h3-4,7,10,18H,2,5-6,8H2,1H3,(H2,15,16)
InChIKeyGTHVNTFANGFXSJ-UHFFFAOYSA-N
XLogP1.54
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.54
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

(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
4-[(3-ethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 43613257
3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43613610
3-fluoro-N'-hydroxy-4-(2-methylpiperidin-1-yl)benzenecarboximidamide
CID 43658120
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
CID 43613288
3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
CID 82989331
4-(3-ethylmorpholin-4-yl)benzenecarbothioamide
CID 43613424
3-fluoro-N'-hydroxy-4-pyrrolidin-1-ylbenzenecarboximidamide
CID 43658117
[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
CID 63082825
3-(difluoromethyl)-4-(3-ethylmorpholin-4-yl)aniline
CID 63735289
5-chloro-2-(3-ethylmorpholin-4-yl)benzenecarboximidamide
CID 62493254

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43658211) is 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide is CCC1COCCN1c1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is GTHVNTFANGFXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-2-10-8-19-6-5-17(10)12-4-3-9(7-11(12)14)13(15)16-18/h3-4,7,10,18H,2,5-6,8H2,1H3,(H2,15,16).
What are the key properties of 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 267.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43658211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).