4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine

C20H23F2NO3 — CID 46041207

IUPAC4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine
SMILESCOc1cc(C)ccc1OCC1CN(Cc2c(F)cccc2F)CCO1
InChIInChI=1S/C20H23F2NO3/c1-14-6-7-19(20(10-14)24-2)26-13-15-11-23(8-9-25-15)12-16-17(21)4-3-5-18(16)22/h3-7,10,15H,8-9,11-13H2,1-2H3
InChIKeyCPLPGZOXFACGDS-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.56
Rot. Bonds6

About 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine

4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine (PubChem CID 46041207) has the molecular formula C20H23F2NO3 and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine
PubChem CID46041207
Molecular FormulaC20H23F2NO3
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine
SMILESCOc1cc(C)ccc1OCC1CN(Cc2c(F)cccc2F)CCO1
InChIInChI=1S/C20H23F2NO3/c1-14-6-7-19(20(10-14)24-2)26-13-15-11-23(8-9-25-15)12-16-17(21)4-3-5-18(16)22/h3-7,10,15H,8-9,11-13H2,1-2H3
InChIKeyCPLPGZOXFACGDS-UHFFFAOYSA-N
XLogP3.56
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 46041237
(2S)-2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 92984994
4-[(3,4-dimethoxyphenyl)methyl]-2-[(4-methylphenoxy)methyl]morpholine
CID 42861424
[(2R)-2-[(2-methoxy-4-methylphenoxy)methyl]morpholin-4-yl]-(2-methylphenyl)methanone
CID 93336839
(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
CID 98735681
2-(bromomethyl)-4-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 81213290
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
(2S)-4-[(2-fluoro-6-methoxyphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124972882
2-[(2,4-dimethylphenoxy)methyl]-4-methylmorpholine
CID 79182676
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
4-ethyl-2-[(5-fluoro-2-methylphenoxy)methyl]morpholine
CID 102990646
2-[(2R)-2-[(2-methoxyphenoxy)methyl]morpholin-4-yl]acetamide
CID 99979589

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine (CID 46041207) is 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine is COc1cc(C)ccc1OCC1CN(Cc2c(F)cccc2F)CCO1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine?
The InChIKey is CPLPGZOXFACGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO3/c1-14-6-7-19(20(10-14)24-2)26-13-15-11-23(8-9-25-15)12-16-17(21)4-3-5-18(16)22/h3-7,10,15H,8-9,11-13H2,1-2H3.
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine?
4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine has a molecular weight of 363.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-2-[(2-methoxy-4-methylphenoxy)methyl]morpholine is sourced from PubChem (CID 46041207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).