3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide

C14H20ClN3O2 — CID 102666774

IUPAC3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(Cc2ccc(/C(N)=N/O)cc2Cl)CC(C)O1
InChIInChI=1S/C14H20ClN3O2/c1-9-6-18(7-10(2)20-9)8-12-4-3-11(5-13(12)15)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17)
InChIKeyYQYYEYBXNUXVOD-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.04
Rot. Bonds3

About 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide

3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 102666774) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
PubChem CID102666774
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
SMILESCC1CN(Cc2ccc(/C(N)=N/O)cc2Cl)CC(C)O1
InChIInChI=1S/C14H20ClN3O2/c1-9-6-18(7-10(2)20-9)8-12-4-3-11(5-13(12)15)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17)
InChIKeyYQYYEYBXNUXVOD-UHFFFAOYSA-N
XLogP2.04
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.04
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-N'-hydroxy-4-[(3,4,5-trimethylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 102667525
3-chloro-N'-hydroxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 102666906
3-chloro-N'-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzenecarboximidamide
CID 102666772
4-(azocan-1-ylmethyl)-3-chloro-N'-hydroxybenzenecarboximidamide
CID 102666797
3-chloro-N'-hydroxy-4-[(4-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 102666939
3-chloro-4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-N'-hydroxybenzenecarboximidamide
CID 102666931
3-chloro-4-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]benzamide
CID 102935941
3-chloro-4-[(2,2-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666835
N'-hydroxy-3-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzenecarboximidamide
CID 114482975
N'-hydroxy-3-methyl-4-[(2-methylmorpholin-4-yl)methyl]benzenecarboximidamide
CID 114482438
3-chloro-4-[(2,4-dimethylpiperidin-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 102666917
3-chloro-N'-hydroxy-4-[(5-methylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 102667560

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide (CID 102666774) is 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide is CC1CN(Cc2ccc(/C(N)=N/O)cc2Cl)CC(C)O1.
What is the InChIKey of 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is YQYYEYBXNUXVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-9-6-18(7-10(2)20-9)8-12-4-3-11(5-13(12)15)14(16)17-19/h3-5,9-10,19H,6-8H2,1-2H3,(H2,16,17).
What are the key properties of 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide?
3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 297.79 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102666774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).