2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide

C13H18FN3O2 — CID 77004286

IUPAC2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(c2ccc(F)cc2C(N)=NO)CC(C)O1
InChIInChI=1S/C13H18FN3O2/c1-8-6-17(7-9(2)19-8)12-4-3-10(14)5-11(12)13(15)16-18/h3-5,8-9,18H,6-7H2,1-2H3,(H2,15,16)
InChIKeyPFDDXQQFJKRMSC-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.53
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide

2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide (PubChem CID 77004286) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
PubChem CID77004286
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(c2ccc(F)cc2C(N)=NO)CC(C)O1
InChIInChI=1S/C13H18FN3O2/c1-8-6-17(7-9(2)19-8)12-4-3-10(14)5-11(12)13(15)16-18/h3-5,8-9,18H,6-7H2,1-2H3,(H2,15,16)
InChIKeyPFDDXQQFJKRMSC-UHFFFAOYSA-N
XLogP1.53
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
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'}

Analyze 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004241
5-fluoro-N'-hydroxy-2-pyrrolidin-1-ylbenzenecarboximidamide
CID 77016942
5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 77004386
5-fluoro-N'-hydroxy-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744059
2-(azocan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004264
5-fluoro-N'-hydroxy-2-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77004346
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302590
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide
CID 136825653
5-fluoro-N'-hydroxy-2-(4-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 81097007
3-bromo-4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 82799275
5-fluoro-N'-hydroxy-2-(4-methyl-1,4-diazepan-1-yl)benzenecarboximidamide
CID 55234100
2-(4,4-dimethylazepan-1-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77064459

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide (CID 77004286) is 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide is CC1CN(c2ccc(F)cc2C(N)=NO)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
The InChIKey is PFDDXQQFJKRMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-8-6-17(7-9(2)19-8)12-4-3-10(14)5-11(12)13(15)16-18/h3-5,8-9,18H,6-7H2,1-2H3,(H2,15,16).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide?
2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide has a molecular weight of 267.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 77004286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).