4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine

C13H17F2NO2 — CID 123286014

IUPAC4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
SMILESCc1ccc(OCCN2CCOCC2)c(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-10-2-3-11(13(15)12(10)14)18-9-6-16-4-7-17-8-5-16/h2-3H,4-9H2,1H3
InChIKeyCPLBFVMWQXVZTM-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.98
Rot. Bonds4

About 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine

4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine (PubChem CID 123286014) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
PubChem CID123286014
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
SMILESCc1ccc(OCCN2CCOCC2)c(F)c1F
InChIInChI=1S/C13H17F2NO2/c1-10-2-3-11(13(15)12(10)14)18-9-6-16-4-7-17-8-5-16/h2-3H,4-9H2,1H3
InChIKeyCPLBFVMWQXVZTM-UHFFFAOYSA-N
XLogP1.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 144752549
4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
trifluoro-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]boranuide
CID 63676214
4-[2-(2,3,5-trimethylphenoxy)ethyl]morpholine
CID 868362
[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 63325103
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
N-methyl-1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]methanamine
CID 63323660
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
4-[2-[4-(3-chloroprop-1-ynyl)-2-methylphenoxy]ethyl]morpholine
CID 63214676
ethane;4-methoxy-1,2-dimethylbenzene;4-[2-(2-methylphenoxy)ethyl]morpholine
CID 143832588
1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43505269

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine?
The IUPAC name of 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine (CID 123286014) is 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine.
What is the SMILES notation for 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine?
The canonical SMILES for 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine is Cc1ccc(OCCN2CCOCC2)c(F)c1F.
What is the InChIKey of 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine?
The InChIKey is CPLBFVMWQXVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-10-2-3-11(13(15)12(10)14)18-9-6-16-4-7-17-8-5-16/h2-3H,4-9H2,1H3.
What are the key properties of 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine?
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine has a molecular weight of 257.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine is sourced from PubChem (CID 123286014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).