5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine

C14H21NO — CID 82285994

IUPAC5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine
SMILESCc1ccc(C2COCC(C)(C)N2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-5-6-12(11(2)7-10)13-8-16-9-14(3,4)15-13/h5-7,13,15H,8-9H2,1-4H3
InChIKeyFFESABZHDIPKEZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.74
Rot. Bonds1

About 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine

5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine (PubChem CID 82285994) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine
PubChem CID82285994
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine
SMILESCc1ccc(C2COCC(C)(C)N2)c(C)c1
InChIInChI=1S/C14H21NO/c1-10-5-6-12(11(2)7-10)13-8-16-9-14(3,4)15-13/h5-7,13,15H,8-9H2,1-4H3
InChIKeyFFESABZHDIPKEZ-UHFFFAOYSA-N
XLogP2.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine?
The IUPAC name of 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine (CID 82285994) is 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine.
What is the SMILES notation for 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine?
The canonical SMILES for 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine is Cc1ccc(C2COCC(C)(C)N2)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine?
The InChIKey is FFESABZHDIPKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-5-6-12(11(2)7-10)13-8-16-9-14(3,4)15-13/h5-7,13,15H,8-9H2,1-4H3.
What are the key properties of 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine?
5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine has a molecular weight of 219.33 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine is sourced from PubChem (CID 82285994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).