2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide

C13H18ClN3O — CID 55153583

IUPAC2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-8-6-17(7-9(2)18-8)10-3-4-11(13(15)16)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16)
InChIKeyHWSKUKAOLVOFKL-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.24
Rot. Bonds2

About 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide

2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 55153583) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
PubChem CID55153583
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)cc1Cl
InChIInChI=1S/C13H18ClN3O/c1-8-6-17(7-9(2)18-8)10-3-4-11(13(15)16)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16)
InChIKeyHWSKUKAOLVOFKL-UHFFFAOYSA-N
XLogP2.24
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 102933094
2-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 107279407
2-chloro-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzenecarboximidamide
CID 81465237
2-chloro-4-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62948700
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175
5-chloro-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 62493250
2-chloro-4-(3-methoxypyrrolidin-1-yl)benzenecarboximidamide
CID 103534098
2-bromo-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 107279420
2-chloro-4-(4-cyclopropylpiperazin-1-yl)benzenecarboximidamide
CID 62947696
2-chloro-4-(3-methoxypiperidin-1-yl)benzenecarboximidamide
CID 102958478
4-bromo-2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 114904376
2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43199936

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide (CID 55153583) is 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(C)OC(C)C2)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is HWSKUKAOLVOFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-8-6-17(7-9(2)18-8)10-3-4-11(13(15)16)12(14)5-10/h3-5,8-9H,6-7H2,1-2H3,(H3,15,16).
What are the key properties of 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide?
2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 267.76 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 55153583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).