2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine

C14H21NO3 — CID 117381769

IUPAC2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
SMILESCOc1cc(C)c(C2CNCCO2)c(OC)c1C
InChIInChI=1S/C14H21NO3/c1-9-7-11(16-3)10(2)14(17-4)13(9)12-8-15-5-6-18-12/h7,12,15H,5-6,8H2,1-4H3
InChIKeyYELSIMYSVHONLL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.98
Rot. Bonds3

About 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine

2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine (PubChem CID 117381769) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine.

Molecular Properties

Compound Name2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
PubChem CID117381769
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
SMILESCOc1cc(C)c(C2CNCCO2)c(OC)c1C
InChIInChI=1S/C14H21NO3/c1-9-7-11(16-3)10(2)14(17-4)13(9)12-8-15-5-6-18-12/h7,12,15H,5-6,8H2,1-4H3
InChIKeyYELSIMYSVHONLL-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
3-chloro-6-methoxy-4-methyl-2-morpholin-2-ylphenol
CID 117397860
2-(6-chloro-2,3,4-trimethoxyphenyl)morpholine
CID 117464374
6-methoxy-3-methyl-2-morpholin-2-ylphenol
CID 117319599
3-chloro-4,5-dimethoxy-2-morpholin-2-ylphenol
CID 117437042
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511
3-methoxy-2-methyl-5-morpholin-2-ylphenol
CID 84789009
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
CID 117323473

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine?
The IUPAC name of 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine (CID 117381769) is 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine.
What is the SMILES notation for 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine?
The canonical SMILES for 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine is COc1cc(C)c(C2CNCCO2)c(OC)c1C.
What is the InChIKey of 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine?
The InChIKey is YELSIMYSVHONLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-7-11(16-3)10(2)14(17-4)13(9)12-8-15-5-6-18-12/h7,12,15H,5-6,8H2,1-4H3.
What are the key properties of 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine?
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine has a molecular weight of 251.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine is sourced from PubChem (CID 117381769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).