3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine

C15H23NO2 — CID 116928232

IUPAC3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine
SMILESCOc1cc(C)cc(C)c1CCC1COCCN1
InChIInChI=1S/C15H23NO2/c1-11-8-12(2)14(15(9-11)17-3)5-4-13-10-18-7-6-16-13/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyZVFQVBARZBIMIT-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.23
Rot. Bonds4

About 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine

3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine (PubChem CID 116928232) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine.

Molecular Properties

Compound Name3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine
PubChem CID116928232
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine
SMILESCOc1cc(C)cc(C)c1CCC1COCCN1
InChIInChI=1S/C15H23NO2/c1-11-8-12(2)14(15(9-11)17-3)5-4-13-10-18-7-6-16-13/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyZVFQVBARZBIMIT-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]-1-methylpiperazine
CID 116928311
N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115238131
3-[2-(5-chloro-2-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928217
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
1-(2-methoxy-4,5-dimethylphenyl)-2-morpholin-3-ylethanone
CID 116919891
3-[(5-chloro-2-methoxy-4-methylphenyl)methyl]morpholine
CID 116927929
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115238028
4-methoxy-2,3,6-trimethyl-N-(morpholin-3-ylmethyl)aniline
CID 115237900
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
2,4-dimethoxy-6-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237892

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine?
The IUPAC name of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine (CID 116928232) is 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine.
What is the SMILES notation for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine?
The canonical SMILES for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine is COc1cc(C)cc(C)c1CCC1COCCN1.
What is the InChIKey of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine?
The InChIKey is ZVFQVBARZBIMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-8-12(2)14(15(9-11)17-3)5-4-13-10-18-7-6-16-13/h8-9,13,16H,4-7,10H2,1-3H3.
What are the key properties of 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine?
3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine has a molecular weight of 249.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-4,6-dimethylphenyl)ethyl]morpholine is sourced from PubChem (CID 116928232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).