2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid

C19H29NO6 — CID 2935297

IUPAC2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
SMILESCC1CN(CCOc2ccccc2C(C)C)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-13(2)16-7-5-6-8-17(16)19-10-9-18-11-14(3)20-15(4)12-18;3-1(4)2(5)6/h5-8,13-15H,9-12H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyIMBBDWBRWCPFDW-UHFFFAOYSA-N
MW367.44 g/mol
LogP2.45
Rot. Bonds5

About 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid

2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid (PubChem CID 2935297) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
PubChem CID2935297
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid
SMILESCC1CN(CCOc2ccccc2C(C)C)CC(C)O1.O=C(O)C(=O)O
InChIInChI=1S/C17H27NO2.C2H2O4/c1-13(2)16-7-5-6-8-17(16)19-10-9-18-11-14(3)20-15(4)12-18;3-1(4)2(5)6/h5-8,13-15H,9-12H2,1-4H3;(H,3,4)(H,5,6)
InChIKeyIMBBDWBRWCPFDW-UHFFFAOYSA-N
XLogP2.45
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid?
The IUPAC name of 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid (CID 2935297) is 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid.
What is the SMILES notation for 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid?
The canonical SMILES for 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid is CC1CN(CCOc2ccccc2C(C)C)CC(C)O1.O=C(O)C(=O)O.
What is the InChIKey of 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid?
The InChIKey is IMBBDWBRWCPFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C2H2O4/c1-13(2)16-7-5-6-8-17(16)19-10-9-18-11-14(3)20-15(4)12-18;3-1(4)2(5)6/h5-8,13-15H,9-12H2,1-4H3;(H,3,4)(H,5,6).
What are the key properties of 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid?
2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid has a molecular weight of 367.44 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[2-(2-propan-2-ylphenoxy)ethyl]morpholine;oxalic acid is sourced from PubChem (CID 2935297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).