1-(2-amino-5-morpholin-4-ylphenyl)ethanone

C12H16N2O2 — CID 1480692

IUPAC1-(2-amino-5-morpholin-4-ylphenyl)ethanone
SMILESCC(=O)c1cc(N2CCOCC2)ccc1N
InChIInChI=1S/C12H16N2O2/c1-9(15)11-8-10(2-3-12(11)13)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKeyQMVGRDDJOMFUJP-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.31
Rot. Bonds2

About 1-(2-amino-5-morpholin-4-ylphenyl)ethanone

1-(2-amino-5-morpholin-4-ylphenyl)ethanone (PubChem CID 1480692) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-amino-5-morpholin-4-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-5-morpholin-4-ylphenyl)ethanone
PubChem CID1480692
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-amino-5-morpholin-4-ylphenyl)ethanone
SMILESCC(=O)c1cc(N2CCOCC2)ccc1N
InChIInChI=1S/C12H16N2O2/c1-9(15)11-8-10(2-3-12(11)13)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKeyQMVGRDDJOMFUJP-UHFFFAOYSA-N
XLogP1.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.31
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 1-(2-amino-5-morpholin-4-ylphenyl)ethanone?
The IUPAC name of 1-(2-amino-5-morpholin-4-ylphenyl)ethanone (CID 1480692) is 1-(2-amino-5-morpholin-4-ylphenyl)ethanone.
What is the SMILES notation for 1-(2-amino-5-morpholin-4-ylphenyl)ethanone?
The canonical SMILES for 1-(2-amino-5-morpholin-4-ylphenyl)ethanone is CC(=O)c1cc(N2CCOCC2)ccc1N.
What is the InChIKey of 1-(2-amino-5-morpholin-4-ylphenyl)ethanone?
The InChIKey is QMVGRDDJOMFUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9(15)11-8-10(2-3-12(11)13)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3.
What are the key properties of 1-(2-amino-5-morpholin-4-ylphenyl)ethanone?
1-(2-amino-5-morpholin-4-ylphenyl)ethanone has a molecular weight of 220.27 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-morpholin-4-ylphenyl)ethanone is sourced from PubChem (CID 1480692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).