(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

C15H22N2O4 — CID 114776038

IUPAC(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccc(N)c(C(=O)N2CC(CO)OC(C)(C)C2)c1
InChIInChI=1S/C15H22N2O4/c1-15(2)9-17(7-11(8-18)21-15)14(19)12-6-10(20-3)4-5-13(12)16/h4-6,11,18H,7-9,16H2,1-3H3
InChIKeyLJVXPXRNRBCGEV-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.89
Rot. Bonds3

About (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone

(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (PubChem CID 114776038) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
PubChem CID114776038
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
SMILESCOc1ccc(N)c(C(=O)N2CC(CO)OC(C)(C)C2)c1
InChIInChI=1S/C15H22N2O4/c1-15(2)9-17(7-11(8-18)21-15)14(19)12-6-10(20-3)4-5-13(12)16/h4-6,11,18H,7-9,16H2,1-3H3
InChIKeyLJVXPXRNRBCGEV-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-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776111
[6-(aminomethyl)-2,2-dimethylmorpholin-4-yl]-(2-hydroxy-5-methoxyphenyl)methanone
CID 114781975
(2-amino-4,5-difluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776082
(2,4-diaminophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776081
(4-amino-3-pyridinyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780108
(2-amino-6-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776093
(5-amino-2-chlorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776059
(4-amino-3-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776793
(3-amino-4-bromophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776065
(2-bromo-5-methylphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114777027
6-(hydroxymethyl)-N-(4-methoxyphenyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779052
(2-bromo-4-fluorophenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114777044

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The IUPAC name of (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone (CID 114776038) is (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is COc1ccc(N)c(C(=O)N2CC(CO)OC(C)(C)C2)c1.
What is the InChIKey of (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
The InChIKey is LJVXPXRNRBCGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2)9-17(7-11(8-18)21-15)14(19)12-6-10(20-3)4-5-13(12)16/h4-6,11,18H,7-9,16H2,1-3H3.
What are the key properties of (2-amino-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone?
(2-amino-5-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-5-methoxyphenyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 114776038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).