2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol

C15H23NO2 — CID 82976718

IUPAC2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol
SMILESCCC1CN(C(C)c2ccc(C)cc2O)CCO1
InChIInChI=1S/C15H23NO2/c1-4-13-10-16(7-8-18-13)12(3)14-6-5-11(2)9-15(14)17/h5-6,9,12-13,17H,4,7-8,10H2,1-3H3
InChIKeyMYCCKPSZNWRREO-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.87
Rot. Bonds3

About 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol

2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol (PubChem CID 82976718) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol
PubChem CID82976718
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol
SMILESCCC1CN(C(C)c2ccc(C)cc2O)CCO1
InChIInChI=1S/C15H23NO2/c1-4-13-10-16(7-8-18-13)12(3)14-6-5-11(2)9-15(14)17/h5-6,9,12-13,17H,4,7-8,10H2,1-3H3
InChIKeyMYCCKPSZNWRREO-UHFFFAOYSA-N
XLogP2.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-ethylmorpholin-4-yl)ethyl]phenol
CID 82976721
2-[1-[(4-ethylmorpholin-2-yl)methylamino]ethyl]-5-methylphenol
CID 104583926
2-(2-ethylmorpholin-4-yl)-1-(4-methylphenyl)propan-1-amine
CID 43562605
5-methyl-2-[1-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]phenol
CID 82965331
5-[1-(2-ethylmorpholin-4-yl)ethyl]furan-2-carboxylic acid
CID 79083918
5-methyl-2-[1-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]phenol
CID 82961971
2-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-5-methylphenol
CID 82977653
2-[1-(3-methoxy-4-methylpiperidin-1-yl)ethyl]-5-methylphenol
CID 102969229
1-(2,4-dimethylphenyl)-2-(2-ethylmorpholin-4-yl)ethanamine
CID 43562608
5-methyl-2-[(1R)-1-piperazin-1-ylethyl]phenol;dihydrochloride
CID 171294351
2-(2-ethylmorpholin-4-yl)-2-(3-methylphenyl)ethanamine
CID 43562475
2-[1-(3,3-dimethylpiperidin-1-yl)ethyl]-5-methylphenol
CID 82980851

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol?
The IUPAC name of 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol (CID 82976718) is 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol is CCC1CN(C(C)c2ccc(C)cc2O)CCO1.
What is the InChIKey of 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol?
The InChIKey is MYCCKPSZNWRREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-13-10-16(7-8-18-13)12(3)14-6-5-11(2)9-15(14)17/h5-6,9,12-13,17H,4,7-8,10H2,1-3H3.
What are the key properties of 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol?
2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol has a molecular weight of 249.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylmorpholin-4-yl)ethyl]-5-methylphenol is sourced from PubChem (CID 82976718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).