2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one

C16H24N2O2 — CID 80556940

IUPAC2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)c2ccc(N)cc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-4-14-11-18(9-10-20-14)15(19)16(2,3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11,17H2,1-3H3
InChIKeyVVZFKKSWYTZYTO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds3

About 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one

2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one (PubChem CID 80556940) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one
PubChem CID80556940
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one
SMILESCCC1CN(C(=O)C(C)(C)c2ccc(N)cc2)CCO1
InChIInChI=1S/C16H24N2O2/c1-4-14-11-18(9-10-20-14)15(19)16(2,3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11,17H2,1-3H3
InChIKeyVVZFKKSWYTZYTO-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
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-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one?
The IUPAC name of 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one (CID 80556940) is 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one is CCC1CN(C(=O)C(C)(C)c2ccc(N)cc2)CCO1.
What is the InChIKey of 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one?
The InChIKey is VVZFKKSWYTZYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-14-11-18(9-10-20-14)15(19)16(2,3)12-5-7-13(17)8-6-12/h5-8,14H,4,9-11,17H2,1-3H3.
What are the key properties of 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one?
2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1-(2-ethylmorpholin-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 80556940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).