4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine

C14H20ClNO2 — CID 869403

IUPAC4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
SMILESCc1cc(C)c(OCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-11-9-12(2)14(13(15)10-11)18-8-5-16-3-6-17-7-4-16/h9-10H,3-8H2,1-2H3
InChIKeyDQRGXWAATLFBGK-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.67
Rot. Bonds4

About 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine

4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine (PubChem CID 869403) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
PubChem CID869403
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
SMILESCc1cc(C)c(OCCN2CCOCC2)c(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-11-9-12(2)14(13(15)10-11)18-8-5-16-3-6-17-7-4-16/h9-10H,3-8H2,1-2H3
InChIKeyDQRGXWAATLFBGK-UHFFFAOYSA-N
XLogP2.67
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine
CID 2299958
1-[3-(2-chloro-4,6-dimethylphenoxy)propyl]piperidine
CID 2263039
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910
(3R)-1-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]-3-methylpiperidine
CID 887574
4-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
CID 2924016
2-[3-chloro-5-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22681076
3-[[3,5-dimethyl-2-(2-morpholin-4-ylethoxy)phenyl]methyl]aniline
CID 156846731
5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82913513
4-(2,4-dichloro-6-methylphenoxy)-N-(2-morpholin-4-ylethyl)butan-1-amine;oxalic acid
CID 2977574

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine (CID 869403) is 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine is Cc1cc(C)c(OCCN2CCOCC2)c(Cl)c1.
What is the InChIKey of 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine?
The InChIKey is DQRGXWAATLFBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-11-9-12(2)14(13(15)10-11)18-8-5-16-3-6-17-7-4-16/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine?
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine has a molecular weight of 269.77 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine is sourced from PubChem (CID 869403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).