4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine

C16H24BrNO2 — CID 2935813

IUPAC4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine
SMILESCc1cc(C)c(OCCN2CC(C)OC(C)C2)c(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-11-7-12(2)16(15(17)8-11)19-6-5-18-9-13(3)20-14(4)10-18/h7-8,13-14H,5-6,9-10H2,1-4H3
InChIKeyOKXJVJAKOAJGBF-UHFFFAOYSA-N
MW342.28 g/mol
LogP3.55
Rot. Bonds4

About 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine

4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine (PubChem CID 2935813) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine
PubChem CID2935813
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine
SMILESCc1cc(C)c(OCCN2CC(C)OC(C)C2)c(Br)c1
InChIInChI=1S/C16H24BrNO2/c1-11-7-12(2)16(15(17)8-11)19-6-5-18-9-13(3)20-14(4)10-18/h7-8,13-14H,5-6,9-10H2,1-4H3
InChIKeyOKXJVJAKOAJGBF-UHFFFAOYSA-N
XLogP3.55
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine with MolForge

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Related Compounds

(2R,6R)-4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholin-4-ium
CID 7413076
(2R,6S)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888409
(2R,6R)-4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888410
4-[2-(4-bromo-2-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 2936182
1-[2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]ethyl]-4-methylpiperidine
CID 2269669
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
ethyl 1-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]piperidine-4-carboxylate;hydrochloride
CID 6459976
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
(2R,6S)-2,6-dimethyl-4-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]morpholine
CID 887414
(3S,5S)-1-[3-(2-bromo-6-chloro-4-methylphenoxy)propyl]-3,5-dimethylpiperidine
CID 7412942
1-[3-(2-bromo-4,6-dimethylphenoxy)propoxy]pyrrolidine-2,5-dione
CID 2221359
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine?
The IUPAC name of 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine (CID 2935813) is 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine.
What is the SMILES notation for 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine?
The canonical SMILES for 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine is Cc1cc(C)c(OCCN2CC(C)OC(C)C2)c(Br)c1.
What is the InChIKey of 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine?
The InChIKey is OKXJVJAKOAJGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-11-7-12(2)16(15(17)8-11)19-6-5-18-9-13(3)20-14(4)10-18/h7-8,13-14H,5-6,9-10H2,1-4H3.
What are the key properties of 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine?
4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine has a molecular weight of 342.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4,6-dimethylphenoxy)ethyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2935813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).