5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine

C14H21NO2 — CID 82291209

IUPAC5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine
SMILESCOc1ccc(C)cc1C1COCC(C)(C)N1
InChIInChI=1S/C14H21NO2/c1-10-5-6-13(16-4)11(7-10)12-8-17-9-14(2,3)15-12/h5-7,12,15H,8-9H2,1-4H3
InChIKeyIKNGHYTUWJMGFY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds2

About 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine

5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine (PubChem CID 82291209) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine.

Molecular Properties

Compound Name5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine
PubChem CID82291209
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine
SMILESCOc1ccc(C)cc1C1COCC(C)(C)N1
InChIInChI=1S/C14H21NO2/c1-10-5-6-13(16-4)11(7-10)12-8-17-9-14(2,3)15-12/h5-7,12,15H,8-9H2,1-4H3
InChIKeyIKNGHYTUWJMGFY-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylmorpholine
CID 82297036
5-(4-methoxy-2,3-dimethylphenyl)-3,3-dimethylmorpholine
CID 82297113
5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine
CID 82285994
3-(2-methoxy-5-methylphenyl)-2,2-dimethyloxirane
CID 116864002
4-(2-methoxy-5-methylphenyl)azetidin-2-one
CID 66350975
8-(2-methoxy-5-methylphenyl)-7-oxa-10-azaspiro[4.6]undecane
CID 115362003
3-(2-methoxy-5-methylphenyl)-6-methyl-1,4-thiazepane 1,1-dioxide
CID 66226419
5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine
CID 116817401
3-(2-methoxy-5-methylphenyl)-1-methylpiperazine
CID 82114400
5-ethoxy-2-(2-methoxy-5-methylphenyl)-2,3-dihydro-1H-indole
CID 4271065
4-(5-chloro-2-methoxyphenyl)-1,3-oxazolidine
CID 175424496
2-(2-methoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82112973

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine?
The IUPAC name of 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine (CID 82291209) is 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine.
What is the SMILES notation for 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine?
The canonical SMILES for 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine is COc1ccc(C)cc1C1COCC(C)(C)N1.
What is the InChIKey of 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine?
The InChIKey is IKNGHYTUWJMGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-5-6-13(16-4)11(7-10)12-8-17-9-14(2,3)15-12/h5-7,12,15H,8-9H2,1-4H3.
What are the key properties of 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine?
5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine is sourced from PubChem (CID 82291209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).