(2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

C15H22N2O4 — CID 81394705

IUPAC(2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCCOc1cccc(N)c1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C15H22N2O4/c1-3-20-13-6-4-5-12(16)14(13)15(19)17-7-11(8-18)21-9-10(17)2/h4-6,10-11,18H,3,7-9,16H2,1-2H3
InChIKeyZWPGDSIRQFQTHL-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.89
Rot. Bonds4

About (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone

(2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (PubChem CID 81394705) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
PubChem CID81394705
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
SMILESCCOc1cccc(N)c1C(=O)N1CC(CO)OCC1C
InChIInChI=1S/C15H22N2O4/c1-3-20-13-6-4-5-12(16)14(13)15(19)17-7-11(8-18)21-9-10(17)2/h4-6,10-11,18H,3,7-9,16H2,1-2H3
InChIKeyZWPGDSIRQFQTHL-UHFFFAOYSA-N
XLogP0.89
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The IUPAC name of (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone (CID 81394705) is (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone.
What is the SMILES notation for (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The canonical SMILES for (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is CCOc1cccc(N)c1C(=O)N1CC(CO)OCC1C.
What is the InChIKey of (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
The InChIKey is ZWPGDSIRQFQTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-20-13-6-4-5-12(16)14(13)15(19)17-7-11(8-18)21-9-10(17)2/h4-6,10-11,18H,3,7-9,16H2,1-2H3.
What are the key properties of (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone?
(2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone has a molecular weight of 294.35 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-ethoxyphenyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone is sourced from PubChem (CID 81394705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).