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

C15H23NO2 — CID 82979016

IUPAC2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
SMILESCC1CN(C(C)c2ccccc2O)CC(C)(C)O1
InChIInChI=1S/C15H23NO2/c1-11-9-16(10-15(3,4)18-11)12(2)13-7-5-6-8-14(13)17/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyWLIHNRACGBKFOL-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.95
Rot. Bonds2

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

2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol (PubChem CID 82979016) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
PubChem CID82979016
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
SMILESCC1CN(C(C)c2ccccc2O)CC(C)(C)O1
InChIInChI=1S/C15H23NO2/c1-11-9-16(10-15(3,4)18-11)12(2)13-7-5-6-8-14(13)17/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyWLIHNRACGBKFOL-UHFFFAOYSA-N
XLogP2.95
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.95
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

5-methoxy-2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978518
2-methoxy-4-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82978311
2-phenyl-2-(2,2,6-trimethylmorpholin-4-yl)acetohydrazide
CID 63585687
N-[2-(2,2,6-trimethylmorpholin-4-yl)propyl]aniline
CID 62568875
(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 63368851
2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82979211
2-(2,2,6-trimethylmorpholin-4-yl)but-3-enoic acid
CID 127018790
(6R)-2,2,6-trimethyl-4-[(1S)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 95136868
1-(2-aminophenyl)-2-(2,2,6-trimethylmorpholin-4-yl)ethanol
CID 62266500
2-[1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethyl]phenol
CID 104969310
(2,3-dihydroxyphenyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 114344244
2-[1-(2-ethylmorpholin-4-yl)ethyl]phenol
CID 82976721

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The IUPAC name of 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol (CID 82979016) is 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol.
What is the SMILES notation for 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The canonical SMILES for 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol is CC1CN(C(C)c2ccccc2O)CC(C)(C)O1.
What is the InChIKey of 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
The InChIKey is WLIHNRACGBKFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-9-16(10-15(3,4)18-11)12(2)13-7-5-6-8-14(13)17/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol?
2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol is sourced from PubChem (CID 82979016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).