5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol

C16H25NO3 — CID 82978518

IUPAC5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
SMILESCOc1ccc(C(C)N2CC(C)OC(C)(C)C2)c(O)c1
InChIInChI=1S/C16H25NO3/c1-11-9-17(10-16(3,4)20-11)12(2)14-7-6-13(19-5)8-15(14)18/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyNJKUOOIITOZTPK-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.96
Rot. Bonds3

About 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol

5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol (PubChem CID 82978518) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
PubChem CID82978518
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
SMILESCOc1ccc(C(C)N2CC(C)OC(C)(C)C2)c(O)c1
InChIInChI=1S/C16H25NO3/c1-11-9-17(10-16(3,4)20-11)12(2)14-7-6-13(19-5)8-15(14)18/h6-8,11-12,18H,9-10H2,1-5H3
InChIKeyNJKUOOIITOZTPK-UHFFFAOYSA-N
XLogP2.96
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82979016
2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978311
5-methoxy-2-[1-(3,4,5-trimethylpiperazin-1-yl)ethyl]phenol
CID 114541116
5-methoxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 82978872
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine
CID 124824367
2-[1-(3,3-diethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82982908
5-methoxy-2-[1-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]phenol
CID 82980447
5-methoxy-2-[1-(3-methoxypiperidin-1-yl)ethyl]phenol
CID 102969245
2-[1-(4-tert-butylpiperidin-1-yl)ethyl]-5-methoxyphenol
CID 82958093
5-methoxy-2-[1-[(2,2,3,3-tetramethylcyclopropyl)amino]ethyl]phenol
CID 79357914
2-[1-(2,2-dimethylpyrrolidin-1-yl)ethyl]-5-methoxyphenol
CID 82979886

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol (CID 82978518) is 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol is COc1ccc(C(C)N2CC(C)OC(C)(C)C2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The InChIKey is NJKUOOIITOZTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-11-9-17(10-16(3,4)20-11)12(2)14-7-6-13(19-5)8-15(14)18/h6-8,11-12,18H,9-10H2,1-5H3.
What are the key properties of 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol has a molecular weight of 279.38 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol is sourced from PubChem (CID 82978518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).