2-(3-aminophenoxy)-1-morpholin-4-ylethanone

C12H16N2O3 — CID 713098

IUPAC2-(3-aminophenoxy)-1-morpholin-4-ylethanone
SMILESNc1cccc(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C12H16N2O3/c13-10-2-1-3-11(8-10)17-9-12(15)14-4-6-16-7-5-14/h1-3,8H,4-7,9,13H2
InChIKeySQKMJEPQICGMPL-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.51
Rot. Bonds3

About 2-(3-aminophenoxy)-1-morpholin-4-ylethanone

2-(3-aminophenoxy)-1-morpholin-4-ylethanone (PubChem CID 713098) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-morpholin-4-ylethanone
PubChem CID713098
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(3-aminophenoxy)-1-morpholin-4-ylethanone
SMILESNc1cccc(OCC(=O)N2CCOCC2)c1
InChIInChI=1S/C12H16N2O3/c13-10-2-1-3-11(8-10)17-9-12(15)14-4-6-16-7-5-14/h1-3,8H,4-7,9,13H2
InChIKeySQKMJEPQICGMPL-UHFFFAOYSA-N
XLogP0.51
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-morpholin-4-ylethanone (CID 713098) is 2-(3-aminophenoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-morpholin-4-ylethanone is Nc1cccc(OCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-1-morpholin-4-ylethanone?
The InChIKey is SQKMJEPQICGMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-2-1-3-11(8-10)17-9-12(15)14-4-6-16-7-5-14/h1-3,8H,4-7,9,13H2.
What are the key properties of 2-(3-aminophenoxy)-1-morpholin-4-ylethanone?
2-(3-aminophenoxy)-1-morpholin-4-ylethanone has a molecular weight of 236.27 g/mol, XLogP of 0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 713098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).