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

C15H22N2O3 — CID 61428266

IUPAC3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)COCCN1C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-19-9-7-17(15)14(18)6-8-20-13-5-3-4-12(16)10-13/h3-5,10H,6-9,11,16H2,1-2H3
InChIKeySRAOYKUMOPVTTQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.68
Rot. Bonds4

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

3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 61428266) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
PubChem CID61428266
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1(C)COCCN1C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H22N2O3/c1-15(2)11-19-9-7-17(15)14(18)6-8-20-13-5-3-4-12(16)10-13/h3-5,10H,6-9,11,16H2,1-2H3
InChIKeySRAOYKUMOPVTTQ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
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

3-[3-(3,3-dimethylmorpholin-4-yl)propoxy]aniline
CID 61429455
1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110624362
3-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)propan-1-one
CID 61095087
3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 61090343
3-(3-methylphenoxy)-1-morpholin-4-ylpropan-1-one
CID 60635766
methyl 1-[3-(3-aminophenoxy)propanoyl]pyrrolidine-2-carboxylate
CID 61094210
1-(2-chlorophenyl)-4-(3,3-dimethylmorpholin-4-yl)butane-1,4-dione
CID 110624363
3-(3-aminophenoxy)-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 106296660
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
3-amino-1-(3,3-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61430840
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one (CID 61428266) is 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one is CC1(C)COCCN1C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is SRAOYKUMOPVTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2)11-19-9-7-17(15)14(18)6-8-20-13-5-3-4-12(16)10-13/h3-5,10H,6-9,11,16H2,1-2H3.
What are the key properties of 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one?
3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-1-(3,3-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 61428266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).