4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide

C14H20FN3O2 — CID 43613258

IUPAC4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1COCCN1Cc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C14H20FN3O2/c1-2-12-9-20-6-5-18(12)8-11-4-3-10(7-13(11)15)14(16)17-19/h3-4,7,12,19H,2,5-6,8-9H2,1H3,(H2,16,17)
InChIKeyVIYACQRFHHOYGS-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.53
Rot. Bonds4

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

4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 43613258) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID43613258
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCCC1COCCN1Cc1ccc(/C(N)=N/O)cc1F
InChIInChI=1S/C14H20FN3O2/c1-2-12-9-20-6-5-18(12)8-11-4-3-10(7-13(11)15)14(16)17-19/h3-4,7,12,19H,2,5-6,8-9H2,1H3,(H2,16,17)
InChIKeyVIYACQRFHHOYGS-UHFFFAOYSA-N
XLogP1.53
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

N'-hydroxy-3-(morpholin-4-ylmethyl)benzene-1-carboximidamide
CID 24694925
N'-hydroxy-3-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 57368830
4-methyl-N'-[(morpholin-4-ylcarbonyl)oxy]benzenecarboximidamide
CID 9587488
N-hydroxy-4-(morpholinomethyl)benzamidine
CID 16772099
[[Amino-(4-methylphenyl)methylidene]amino] morpholine-4-carboxylate
CID 2941687
tert-butyl 2-[[2-fluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl-methylamino]acetate
CID 58066214
tert-butyl N-{4-[amino(hydroxyimino)methyl]-2-fluorobenzyl}-N-methylglycinate
CID 76685325
tert-butyl N-{4-[amino(hydroxyimino)methyl]-2-fluorobenzyl}-N-methylvalinate
CID 86683832
tert-butyl 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl-methylamino]-3-methylbutanoate
CID 87090999
tert-butyl 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl-methylamino]propanoate
CID 87091036
tert-butyl 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl-methylamino]butanoate
CID 87091048
tert-butyl 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl-methylamino]acetate
CID 87103537

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide (CID 43613258) is 4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is CCC1COCCN1Cc1ccc(/C(N)=N/O)cc1F.
What is the InChIKey of 4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is VIYACQRFHHOYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c1-2-12-9-20-6-5-18(12)8-11-4-3-10(7-13(11)15)14(16)17-19/h3-4,7,12,19H,2,5-6,8-9H2,1H3,(H2,16,17).
What are the key properties of 4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide?
4-[(3-ethylmorpholin-4-yl)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 281.33 g/mol, XLogP of 1.53, 4 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)methyl]-3-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43613258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).