4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide

C15H23N3O2 — CID 114777104

IUPAC4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(CO)OC(C)(C)C2)cc1C
InChIInChI=1S/C15H23N3O2/c1-10-6-11(4-5-13(10)14(16)17)18-7-12(8-19)20-15(2,3)9-18/h4-6,12,19H,7-9H2,1-3H3,(H3,16,17)
InChIKeyPNCORZILCWBGLP-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.26
Rot. Bonds3

About 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide

4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide (PubChem CID 114777104) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
PubChem CID114777104
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2CC(CO)OC(C)(C)C2)cc1C
InChIInChI=1S/C15H23N3O2/c1-10-6-11(4-5-13(10)14(16)17)18-7-12(8-19)20-15(2,3)9-18/h4-6,12,19H,7-9H2,1-3H3,(H3,16,17)
InChIKeyPNCORZILCWBGLP-UHFFFAOYSA-N
XLogP1.26
TPSA82.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.26
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'}

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Related Compounds

2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-6-methylpyridine-3-carboximidamide
CID 114777093
5-chloro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarboximidamide
CID 114777109
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzaldehyde
CID 114777267
2-[[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methyl]benzenecarboximidamide
CID 114777120
2-(1-aminoethyl)-5-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenol
CID 114777220
4-(azocan-1-yl)-2-methylbenzenecarboximidamide
CID 81279161
2-methyl-4-(2-methylmorpholin-4-yl)benzenecarboximidamide
CID 81279659
4-bromo-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114903570
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437
2-bromo-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 107279420
2-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarboximidamide
CID 102933094
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzonitrile
CID 114776853

Frequently Asked Questions

What is the IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide?
The IUPAC name of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide (CID 114777104) is 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(N2CC(CO)OC(C)(C)C2)cc1C.
What is the InChIKey of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide?
The InChIKey is PNCORZILCWBGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-6-11(4-5-13(10)14(16)17)18-7-12(8-19)20-15(2,3)9-18/h4-6,12,19H,7-9H2,1-3H3,(H3,16,17).
What are the key properties of 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide?
4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide has a molecular weight of 277.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methylbenzenecarboximidamide is sourced from PubChem (CID 114777104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).