2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone

C14H19NO2 — CID 839325

IUPAC2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone
SMILESCc1cccc(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C14H19NO2/c1-11-4-3-5-12(2)13(11)10-14(16)15-6-8-17-9-7-15/h3-5H,6-10H2,1-2H3
InChIKeyRAEDLWYIDRUXJT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.70
Rot. Bonds2

About 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone

2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone (PubChem CID 839325) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone
PubChem CID839325
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone
SMILESCc1cccc(C)c1CC(=O)N1CCOCC1
InChIInChI=1S/C14H19NO2/c1-11-4-3-5-12(2)13(11)10-14(16)15-6-8-17-9-7-15/h3-5H,6-10H2,1-2H3
InChIKeyRAEDLWYIDRUXJT-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone (CID 839325) is 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone is Cc1cccc(C)c1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone?
The InChIKey is RAEDLWYIDRUXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-4-3-5-12(2)13(11)10-14(16)15-6-8-17-9-7-15/h3-5H,6-10H2,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone?
2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 839325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).