2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone

C15H22N2O2 — CID 43574117

IUPAC2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
SMILESCCC1COC(C)CN1C(=O)Cc1ccccc1N
InChIInChI=1S/C15H22N2O2/c1-3-13-10-19-11(2)9-17(13)15(18)8-12-6-4-5-7-14(12)16/h4-7,11,13H,3,8-10,16H2,1-2H3
InChIKeyIBZLNKMCGJMAQV-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.84
Rot. Bonds3

About 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone

2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone (PubChem CID 43574117) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
PubChem CID43574117
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone
SMILESCCC1COC(C)CN1C(=O)Cc1ccccc1N
InChIInChI=1S/C15H22N2O2/c1-3-13-10-19-11(2)9-17(13)15(18)8-12-6-4-5-7-14(12)16/h4-7,11,13H,3,8-10,16H2,1-2H3
InChIKeyIBZLNKMCGJMAQV-UHFFFAOYSA-N
XLogP1.84
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone (CID 43574117) is 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone is CCC1COC(C)CN1C(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
The InChIKey is IBZLNKMCGJMAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13-10-19-11(2)9-17(13)15(18)8-12-6-4-5-7-14(12)16/h4-7,11,13H,3,8-10,16H2,1-2H3.
What are the key properties of 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone?
2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-1-(5-ethyl-2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 43574117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).