2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine

C14H21NO2 — CID 79182676

IUPAC2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
SMILESCc1ccc(OCC2CN(C)CCO2)c(C)c1
InChIInChI=1S/C14H21NO2/c1-11-4-5-14(12(2)8-11)17-10-13-9-15(3)6-7-16-13/h4-5,8,13H,6-7,9-10H2,1-3H3
InChIKeyUEZVKCFAEAAHDQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds3

About 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine

2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine (PubChem CID 79182676) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine.

Molecular Properties

Compound Name2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
PubChem CID79182676
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
SMILESCc1ccc(OCC2CN(C)CCO2)c(C)c1
InChIInChI=1S/C14H21NO2/c1-11-4-5-14(12(2)8-11)17-10-13-9-15(3)6-7-16-13/h4-5,8,13H,6-7,9-10H2,1-3H3
InChIKeyUEZVKCFAEAAHDQ-UHFFFAOYSA-N
XLogP2.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171877
N-[[5-methyl-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]ethanamine
CID 79171680
(2S)-2-[(4-chloro-2-iodophenoxy)methyl]-4-methylmorpholine
CID 58005244
2-methyl-6-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 79165775
4-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]morpholine
CID 70907046
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
4-methyl-3-[(4-methylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 107656463
[4-methoxy-3-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166947
[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanol
CID 107690789
5-fluoro-2-methyl-4-[(4-methylmorpholin-2-yl)methoxy]aniline
CID 114415689
1-[5-chloro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanone
CID 79171911
[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]methanamine
CID 79166937

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine?
The IUPAC name of 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine (CID 79182676) is 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine.
What is the SMILES notation for 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine?
The canonical SMILES for 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine is Cc1ccc(OCC2CN(C)CCO2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine?
The InChIKey is UEZVKCFAEAAHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-4-5-14(12(2)8-11)17-10-13-9-15(3)6-7-16-13/h4-5,8,13H,6-7,9-10H2,1-3H3.
What are the key properties of 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine?
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine has a molecular weight of 235.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine is sourced from PubChem (CID 79182676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).