(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine

C15H21F2NO3 — CID 51924313

IUPAC(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
SMILESCOc1cc(CN2C[C@@H](C)O[C@H](C)C2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-10-7-18(8-11(2)20-10)9-12-4-5-13(21-15(16)17)14(6-12)19-3/h4-6,10-11,15H,7-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyCBVVDJPPPDCHBA-GHMZBOCLSA-N
MW301.33 g/mol
LogP2.91
Rot. Bonds5

About (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine

(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine (PubChem CID 51924313) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
PubChem CID51924313
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine
SMILESCOc1cc(CN2C[C@@H](C)O[C@H](C)C2)ccc1OC(F)F
InChIInChI=1S/C15H21F2NO3/c1-10-7-18(8-11(2)20-10)9-12-4-5-13(21-15(16)17)14(6-12)19-3/h4-6,10-11,15H,7-9H2,1-3H3/t10-,11-/m1/s1
InChIKeyCBVVDJPPPDCHBA-GHMZBOCLSA-N
XLogP2.91
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-4-[(3-fluoro-4-methoxyphenyl)methyl]-2,6-dimethylmorpholine
CID 94825759
(3aS,6aR)-5-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660864
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3,5-dimethylpiperazine
CID 63862972
4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-2-methoxyphenol
CID 104961912
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methylpiperidin-4-amine
CID 79874611
(2S,6S)-2,6-dimethyl-4-[(3,4,5-trimethoxyphenyl)methyl]morpholine
CID 755065
5-[(2,6-dimethylmorpholin-4-yl)methyl]-2-methoxybenzenecarbothioamide
CID 65339301
1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-3-methylpiperazine
CID 65416136
1-[1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263935
1-[(2S)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 97199210
(2R,6R)-4-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-2,6-dimethylmorpholine
CID 756427
4-[[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 8710918

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine (CID 51924313) is (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine is COc1cc(CN2C[C@@H](C)O[C@H](C)C2)ccc1OC(F)F.
What is the InChIKey of (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine?
The InChIKey is CBVVDJPPPDCHBA-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H21F2NO3/c1-10-7-18(8-11(2)20-10)9-12-4-5-13(21-15(16)17)14(6-12)19-3/h4-6,10-11,15H,7-9H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine has a molecular weight of 301.33 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 51924313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).