5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide

C14H20ClN3O2 — CID 114777109

IUPAC5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C14H20ClN3O2/c1-14(2)8-18(6-10(7-19)20-14)12-4-3-9(15)5-11(12)13(16)17/h3-5,10,19H,6-8H2,1-2H3,(H3,16,17)
InChIKeyBHKXTOCYZDGPDF-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.60
Rot. Bonds3

About 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide

5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide (PubChem CID 114777109) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
PubChem CID114777109
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Cl)ccc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C14H20ClN3O2/c1-14(2)8-18(6-10(7-19)20-14)12-4-3-9(15)5-11(12)13(16)17/h3-5,10,19H,6-8H2,1-2H3,(H3,16,17)
InChIKeyBHKXTOCYZDGPDF-UHFFFAOYSA-N
XLogP1.60
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide 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

[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
CID 114777104
4-chloro-N'-hydroxy-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777065
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 114777093
[4-(4-chloro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779472
5-chloro-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]benzenecarboximidamide
CID 81202711
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114776979
5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
CID 114892979
4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744111
4-bromo-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114903570
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide
CID 114777120

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The IUPAC name of 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide (CID 114777109) is 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The canonical SMILES for 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide is [H]/N=C(\N)c1cc(Cl)ccc1N1CC(CO)OC(C)(C)C1.
What is the InChIKey of 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
The InChIKey is BHKXTOCYZDGPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-14(2)8-18(6-10(7-19)20-14)12-4-3-9(15)5-11(12)13(16)17/h3-5,10,19H,6-8H2,1-2H3,(H3,16,17).
What are the key properties of 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide?
5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide has a molecular weight of 297.79 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 114777109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).