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

C19H21F2NO2 — CID 173296855

IUPAC4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C19H21F2NO2/c1-14-12-16(24-11-8-22-6-9-23-10-7-22)3-5-17(14)18-4-2-15(20)13-19(18)21/h2-5,12-13H,6-11H2,1H3
InChIKeyJUPLEFGUMIGTMB-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.65
Rot. Bonds5

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

4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine (PubChem CID 173296855) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
PubChem CID173296855
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Name4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine
SMILESCc1cc(OCCN2CCOCC2)ccc1-c1ccc(F)cc1F
InChIInChI=1S/C19H21F2NO2/c1-14-12-16(24-11-8-22-6-9-23-10-7-22)3-5-17(14)18-4-2-15(20)13-19(18)21/h2-5,12-13H,6-11H2,1H3
InChIKeyJUPLEFGUMIGTMB-UHFFFAOYSA-N
XLogP3.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[4-(3-fluoro-4-methylphenyl)phenoxy]ethyl]morpholine
CID 123641546
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
4-[2-(4-tert-butyl-3-methylphenoxy)ethyl]morpholine
CID 59832136
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
2-methyl-5-(2-morpholin-4-ylethoxy)benzoic acid
CID 82165954
4-[2-[2-(4-fluorophenoxy)ethoxy]ethyl]morpholine
CID 30983916
2-methyl-4-(2-morpholin-4-ylethoxy)-N-propylaniline
CID 90993901
4-[2-(5-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 142855326
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
4-[2-[(2-methyl-1-benzofuran-6-yl)oxy]ethyl]morpholine
CID 143026753
4-[2-(4-methylnaphthalen-2-yl)oxyethyl]morpholine
CID 143504994

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine (CID 173296855) is 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine is Cc1cc(OCCN2CCOCC2)ccc1-c1ccc(F)cc1F.
What is the InChIKey of 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine?
The InChIKey is JUPLEFGUMIGTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-14-12-16(24-11-8-22-6-9-23-10-7-22)3-5-17(14)18-4-2-15(20)13-19(18)21/h2-5,12-13H,6-11H2,1H3.
What are the key properties of 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine?
4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine has a molecular weight of 333.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2,4-difluorophenyl)-3-methylphenoxy]ethyl]morpholine is sourced from PubChem (CID 173296855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).