1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone

C16H24N2O2 — CID 102742841

IUPAC1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1N
InChIInChI=1S/C16H24N2O2/c1-11(19)13-7-6-12(8-14(13)17)18-9-15(2,3)20-16(4,5)10-18/h6-8H,9-10,17H2,1-5H3
InChIKeyGNDIYDQEDLTOMS-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.87
Rot. Bonds2

About 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone

1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone (PubChem CID 102742841) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone
PubChem CID102742841
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1N
InChIInChI=1S/C16H24N2O2/c1-11(19)13-7-6-12(8-14(13)17)18-9-15(2,3)20-16(4,5)10-18/h6-8H,9-10,17H2,1-5H3
InChIKeyGNDIYDQEDLTOMS-UHFFFAOYSA-N
XLogP2.87
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
1-[2-amino-4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
CID 104528170
1-[2-amino-4-(3,5-dimethylpiperidin-1-yl)phenyl]ethanone
CID 113423171
1-[2-amino-4-(3,5-dimethylpiperazin-1-yl)phenyl]ethanone
CID 69195971
1-[2-amino-4-(2,2-dimethylpyrrolidin-1-yl)phenyl]ethanone
CID 104528829
1-[2-amino-4-(2-methylmorpholin-4-yl)phenyl]ethanone
CID 104528165
2-amino-3-methyl-5-(2,2,6,6-tetramethylmorpholin-4-yl)benzoic acid
CID 102742867
4-(3-acetyl-4-aminophenyl)piperazine-2,6-dione
CID 113433052
(2,4-diaminophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102742669
1-[2-amino-4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]ethanone
CID 113423185
2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
CID 55133406
1-[2-amino-4-(4-methylazepan-1-yl)phenyl]ethanone
CID 104528853

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone?
The IUPAC name of 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone (CID 102742841) is 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone is CC(=O)c1ccc(N2CC(C)(C)OC(C)(C)C2)cc1N.
What is the InChIKey of 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone?
The InChIKey is GNDIYDQEDLTOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(19)13-7-6-12(8-14(13)17)18-9-15(2,3)20-16(4,5)10-18/h6-8H,9-10,17H2,1-5H3.
What are the key properties of 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone?
1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)phenyl]ethanone is sourced from PubChem (CID 102742841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).