3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine

C14H21NO2 — CID 82291329

IUPAC3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine
SMILESCc1ccc(C)c(OCC2COCC(C)N2)c1
InChIInChI=1S/C14H21NO2/c1-10-4-5-11(2)14(6-10)17-9-13-8-16-7-12(3)15-13/h4-6,12-13,15H,7-9H2,1-3H3
InChIKeyJCVSDBPQFBQKCL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.06
Rot. Bonds3

About 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine

3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine (PubChem CID 82291329) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine
PubChem CID82291329
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine
SMILESCc1ccc(C)c(OCC2COCC(C)N2)c1
InChIInChI=1S/C14H21NO2/c1-10-4-5-11(2)14(6-10)17-9-13-8-16-7-12(3)15-13/h4-6,12-13,15H,7-9H2,1-3H3
InChIKeyJCVSDBPQFBQKCL-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenoxy)methyl]oxetane
CID 116820130
3-[(3,5-dimethylphenoxy)methyl]-5-methylmorpholine
CID 82291344
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501
3-methyl-5-[2-(4-methylphenyl)ethyl]morpholine
CID 82285891
3-[(2,4-dimethylphenoxy)methyl]oxetane
CID 116820131
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
3-[2-(2,4-dimethoxyphenyl)ethyl]-5-methylmorpholine
CID 116685856
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
4-[[2-(2,5-dimethylphenoxy)acetyl]amino]oxolane-3-carboxylic acid
CID 66223571
(2,5-dimethylphenoxy)methanamine
CID 89376053

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine (CID 82291329) is 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine is Cc1ccc(C)c(OCC2COCC(C)N2)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine?
The InChIKey is JCVSDBPQFBQKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10-4-5-11(2)14(6-10)17-9-13-8-16-7-12(3)15-13/h4-6,12-13,15H,7-9H2,1-3H3.
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine?
3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine has a molecular weight of 235.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]-5-methylmorpholine is sourced from PubChem (CID 82291329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).