3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C15H22N2O3 — CID 61092207

IUPAC3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCOc2ccc(N)cc2)CC(C)O1
InChIInChI=1S/C15H22N2O3/c1-11-9-17(10-12(2)20-11)15(18)7-8-19-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyYMUHNKQGQZUXTD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.67
Rot. Bonds4

About 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 61092207) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID61092207
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCOc2ccc(N)cc2)CC(C)O1
InChIInChI=1S/C15H22N2O3/c1-11-9-17(10-12(2)20-11)15(18)7-8-19-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10,16H2,1-2H3
InChIKeyYMUHNKQGQZUXTD-UHFFFAOYSA-N
XLogP1.67
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106666931
3-(4-aminophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 107209792
3-(4-aminophenoxy)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 103504960
1-(2,6-dimethylmorpholin-4-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 25236981
3-(4-aminophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 61093576
3-(4-aminophenoxy)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 106835109
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-[4-(1-methylpyrazol-4-yl)phenoxy]butan-1-one
CID 124849461
4-[3-(4-aminophenoxy)propanoyl]piperazine-2,6-dione
CID 66084254
(3S,4S)-4-methyl-1-[3-(4-propan-2-ylphenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 122112452
4-methyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63721709
1-(2,6-dimethylmorpholin-4-yl)-2-[4-(4-methylphenyl)phenoxy]ethanone
CID 42964480
3-(3,4-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 55672944

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 61092207) is 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)CCOc2ccc(N)cc2)CC(C)O1.
What is the InChIKey of 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is YMUHNKQGQZUXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-9-17(10-12(2)20-11)15(18)7-8-19-14-5-3-13(16)4-6-14/h3-6,11-12H,7-10,16H2,1-2H3.
What are the key properties of 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 61092207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).