2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine

C20H25NO3 — CID 173252559

IUPAC2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine
SMILESCOC1CN(Cc2ccccc2-c2ccc(C)cc2)CC(OC)O1
InChIInChI=1S/C20H25NO3/c1-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21-13-19(22-2)24-20(14-21)23-3/h4-11,19-20H,12-14H2,1-3H3
InChIKeyKBUZXUQPSWBGBO-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.44
Rot. Bonds5

About 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine

2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine (PubChem CID 173252559) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine
PubChem CID173252559
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine
SMILESCOC1CN(Cc2ccccc2-c2ccc(C)cc2)CC(OC)O1
InChIInChI=1S/C20H25NO3/c1-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21-13-19(22-2)24-20(14-21)23-3/h4-11,19-20H,12-14H2,1-3H3
InChIKeyKBUZXUQPSWBGBO-UHFFFAOYSA-N
XLogP3.44
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine?
The IUPAC name of 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine (CID 173252559) is 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine.
What is the SMILES notation for 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine?
The canonical SMILES for 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine is COC1CN(Cc2ccccc2-c2ccc(C)cc2)CC(OC)O1.
What is the InChIKey of 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine?
The InChIKey is KBUZXUQPSWBGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21-13-19(22-2)24-20(14-21)23-3/h4-11,19-20H,12-14H2,1-3H3.
What are the key properties of 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine?
2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine has a molecular weight of 327.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[[2-(4-methylphenyl)phenyl]methyl]morpholine is sourced from PubChem (CID 173252559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).