2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one

C16H24N2O3 — CID 106591897

IUPAC2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
SMILESCC(C(=O)N1CC(CO)OC(C)(C)C1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O3/c1-11(12-5-4-6-13(17)7-12)15(20)18-8-14(9-19)21-16(2,3)10-18/h4-7,11,14,19H,8-10,17H2,1-3H3
InChIKeyUHNXYANCIQJWRG-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds3

About 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one

2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one (PubChem CID 106591897) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
PubChem CID106591897
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one
SMILESCC(C(=O)N1CC(CO)OC(C)(C)C1)c1cccc(N)c1
InChIInChI=1S/C16H24N2O3/c1-11(12-5-4-6-13(17)7-12)15(20)18-8-14(9-19)21-16(2,3)10-18/h4-7,11,14,19H,8-10,17H2,1-3H3
InChIKeyUHNXYANCIQJWRG-UHFFFAOYSA-N
XLogP1.37
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106591659
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylethanone
CID 104969794
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-methoxy-2-phenylethanone
CID 114778645
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
2-(3-aminophenyl)-1-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 106591398
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
4-[2-(3-aminophenyl)propanoyl]piperazine-2,6-dione
CID 106591581
1-[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-2-phenylbutan-1-one
CID 114781963
(3-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778918
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-iodophenyl)methanone
CID 114777024

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The IUPAC name of 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one (CID 106591897) is 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The canonical SMILES for 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one is CC(C(=O)N1CC(CO)OC(C)(C)C1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
The InChIKey is UHNXYANCIQJWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(12-5-4-6-13(17)7-12)15(20)18-8-14(9-19)21-16(2,3)10-18/h4-7,11,14,19H,8-10,17H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one?
2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 106591897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).