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

C15H22ClN3O — CID 102744111

IUPAC4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H22ClN3O/c1-14(2)8-19(9-15(3,4)20-14)12-7-10(16)5-6-11(12)13(17)18/h5-7H,8-9H2,1-4H3,(H3,17,18)
InChIKeyWTJFFLNVHTXJOM-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.02
Rot. Bonds2

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

4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide (PubChem CID 102744111) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
PubChem CID102744111
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cl)cc1N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C15H22ClN3O/c1-14(2)8-19(9-15(3,4)20-14)12-7-10(16)5-6-11(12)13(17)18/h5-7H,8-9H2,1-4H3,(H3,17,18)
InChIKeyWTJFFLNVHTXJOM-UHFFFAOYSA-N
XLogP3.02
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.02
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

4-chloro-2-(4-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 81097859
4-chloro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzenecarboximidamide
CID 66394053
2-(4-tert-butylpiperazin-1-yl)-4-chlorobenzenecarboximidamide
CID 63092167
2-(4-tert-butylpiperidin-1-yl)-4-chlorobenzenecarboximidamide
CID 63094202
4-chloro-2-(3-methylpiperidin-1-yl)benzenecarboximidamide
CID 63094021
2-(2,2-dimethylmorpholin-4-yl)-4-methylbenzenecarboximidamide
CID 62309167
5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777109
4-chloro-2-(4-ethyl-3-methylpiperazin-1-yl)benzenecarboximidamide
CID 63611102
4-chloro-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenecarboximidamide
CID 112625770
4-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide
CID 102744103
4-chloro-2-(3-propylpyrrolidin-1-yl)benzenecarboximidamide
CID 113417643
4-methyl-2-(3,3,4-trimethylpiperazin-1-yl)benzenecarboximidamide
CID 63609906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The IUPAC name of 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide (CID 102744111) is 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cl)cc1N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
The InChIKey is WTJFFLNVHTXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-14(2)8-19(9-15(3,4)20-14)12-7-10(16)5-6-11(12)13(17)18/h5-7H,8-9H2,1-4H3,(H3,17,18).
What are the key properties of 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide?
4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide has a molecular weight of 295.81 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,6,6-tetramethylmorpholin-4-yl)benzenecarboximidamide is sourced from PubChem (CID 102744111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).