2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone

C13H18N2O4 — CID 81205392

IUPAC2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESNc1ccc(OCC(=O)N2CCOC(CO)C2)cc1
InChIInChI=1S/C13H18N2O4/c14-10-1-3-11(4-2-10)19-9-13(17)15-5-6-18-12(7-15)8-16/h1-4,12,16H,5-9,14H2
InChIKeyXLZDJLKDGTUVEB-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.13
Rot. Bonds4

About 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone

2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 81205392) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID81205392
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESNc1ccc(OCC(=O)N2CCOC(CO)C2)cc1
InChIInChI=1S/C13H18N2O4/c14-10-1-3-11(4-2-10)19-9-13(17)15-5-6-18-12(7-15)8-16/h1-4,12,16H,5-9,14H2
InChIKeyXLZDJLKDGTUVEB-UHFFFAOYSA-N
XLogP-0.13
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
2-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]phenoxy]acetamide
CID 81197417
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
3-(4-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81209418
2-(4-aminophenoxy)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 28689718
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 81196889
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943
2-(4-aminophenoxy)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530023
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(4-aminophenoxy)ethanone
CID 61102892
1-[2-(hydroxymethyl)morpholin-4-yl]-2-(2-propan-2-ylphenoxy)ethanone
CID 81196263

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone (CID 81205392) is 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone is Nc1ccc(OCC(=O)N2CCOC(CO)C2)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is XLZDJLKDGTUVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c14-10-1-3-11(4-2-10)19-9-13(17)15-5-6-18-12(7-15)8-16/h1-4,12,16H,5-9,14H2.
What are the key properties of 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone?
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 266.30 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 81205392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).