(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C15H22N2O4 — CID 114776093

IUPAC(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOc1cccc(N)c1C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H22N2O4/c1-15(2)9-17(7-10(8-18)21-15)14(19)13-11(16)5-4-6-12(13)20-3/h4-6,10,18H,7-9,16H2,1-3H3
InChIKeyFJPKPIMBYLGWHP-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.89
Rot. Bonds3

About (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114776093) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114776093
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOc1cccc(N)c1C(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C15H22N2O4/c1-15(2)9-17(7-10(8-18)21-15)14(19)13-11(16)5-4-6-12(13)20-3/h4-6,10,18H,7-9,16H2,1-3H3
InChIKeyFJPKPIMBYLGWHP-UHFFFAOYSA-N
XLogP0.89
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776038
1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 114778686
(2-chloro-6-methoxyphenyl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128989915
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(3-methoxythiophen-2-yl)methanone
CID 114779028
6-(hydroxymethyl)-N-(2-methoxyphenyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779055
(2-amino-5-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
(2-amino-6-methoxyphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107210563
(2-ethoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114778977
(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776065
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 114778947

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114776093) is (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is COc1cccc(N)c1C(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is FJPKPIMBYLGWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2)9-17(7-10(8-18)21-15)14(19)13-11(16)5-4-6-12(13)20-3/h4-6,10,18H,7-9,16H2,1-3H3.
What are the key properties of (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone has a molecular weight of 294.35 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114776093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).