1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one

C16H24N2O2 — CID 82256543

IUPAC1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one
SMILESCCC(C(=O)c1ccc(N)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C16H24N2O2/c1-4-15(18-9-11(2)20-12(3)10-18)16(19)13-5-7-14(17)8-6-13/h5-8,11-12,15H,4,9-10,17H2,1-3H3
InChIKeyOQQQDBVQRLWQKE-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.34
Rot. Bonds4

About 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one

1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one (PubChem CID 82256543) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one
PubChem CID82256543
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one
SMILESCCC(C(=O)c1ccc(N)cc1)N1CC(C)OC(C)C1
InChIInChI=1S/C16H24N2O2/c1-4-15(18-9-11(2)20-12(3)10-18)16(19)13-5-7-14(17)8-6-13/h5-8,11-12,15H,4,9-10,17H2,1-3H3
InChIKeyOQQQDBVQRLWQKE-UHFFFAOYSA-N
XLogP2.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.34
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-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one?
The IUPAC name of 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one (CID 82256543) is 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one?
The canonical SMILES for 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one is CCC(C(=O)c1ccc(N)cc1)N1CC(C)OC(C)C1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one?
The InChIKey is OQQQDBVQRLWQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-15(18-9-11(2)20-12(3)10-18)16(19)13-5-7-14(17)8-6-13/h5-8,11-12,15H,4,9-10,17H2,1-3H3.
What are the key properties of 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one?
1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one has a molecular weight of 276.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2,6-dimethylmorpholin-4-yl)butan-1-one is sourced from PubChem (CID 82256543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).