4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol

C15H23NO3 — CID 82986575

IUPAC4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N2CCOCC2(C)C)ccc1O
InChIInChI=1S/C15H23NO3/c1-11(16-7-8-19-10-15(16,2)3)12-5-6-13(17)14(9-12)18-4/h5-6,9,11,17H,7-8,10H2,1-4H3
InChIKeyNCRKIJGMCZALDY-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds3

About 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol

4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol (PubChem CID 82986575) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
PubChem CID82986575
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol
SMILESCOc1cc(C(C)N2CCOCC2(C)C)ccc1O
InChIInChI=1S/C15H23NO3/c1-11(16-7-8-19-10-15(16,2)3)12-5-6-13(17)14(9-12)18-4/h5-6,9,11,17H,7-8,10H2,1-4H3
InChIKeyNCRKIJGMCZALDY-UHFFFAOYSA-N
XLogP2.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[1-(3-methylmorpholin-4-yl)ethyl]phenol
CID 82977456
4-[1-(3,3-dimethylpyrrolidin-1-yl)ethyl]-2-methoxyphenol
CID 82983373
2-methoxy-4-(1-piperidin-1-ylethyl)phenol
CID 82977006
2-(3,4-dimethoxyphenyl)-1-(3,3-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 110304702
2-(3,3-dimethylmorpholin-4-yl)-2-(4-methoxy-3-methylphenyl)ethanamine
CID 62132253
2-methoxy-4-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171288751
2-(3,3-dimethylmorpholin-4-yl)-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65096523
2-methoxy-4-[1-[(3-methoxyoxolan-3-yl)methylamino]ethyl]phenol
CID 104759790
2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978311
2-methoxy-4-[1-[4-(trifluoromethyl)piperidin-1-yl]ethyl]phenol
CID 82966334
4-[(1R)-1-aminoethyl]-2-methoxyphenol
CID 42282043
2-methoxy-4-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82981169

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol (CID 82986575) is 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol is COc1cc(C(C)N2CCOCC2(C)C)ccc1O.
What is the InChIKey of 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol?
The InChIKey is NCRKIJGMCZALDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(16-7-8-19-10-15(16,2)3)12-5-6-13(17)14(9-12)18-4/h5-6,9,11,17H,7-8,10H2,1-4H3.
What are the key properties of 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol?
4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol has a molecular weight of 265.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 82986575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).