4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine

C25H41NO3 — CID 134177344

IUPAC4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine
SMILESCC(C)(C)c1ccccc1OCCN1CCOC(CC(C)(C)C2CCOCC2)C1
InChIInChI=1S/C25H41NO3/c1-24(2,3)22-8-6-7-9-23(22)29-17-13-26-12-16-28-21(19-26)18-25(4,5)20-10-14-27-15-11-20/h6-9,20-21H,10-19H2,1-5H3
InChIKeySADOATANEYAWJN-UHFFFAOYSA-N
MW403.61 g/mol
LogP4.91
Rot. Bonds7

About 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine

4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine (PubChem CID 134177344) has the molecular formula C25H41NO3 and a molecular weight of 403.61 g/mol. Its IUPAC name is 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine
PubChem CID134177344
Molecular FormulaC25H41NO3
Molecular Weight403.61 g/mol
Exact Mass403.31
IUPAC Name4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine
SMILESCC(C)(C)c1ccccc1OCCN1CCOC(CC(C)(C)C2CCOCC2)C1
InChIInChI=1S/C25H41NO3/c1-24(2,3)22-8-6-7-9-23(22)29-17-13-26-12-16-28-21(19-26)18-25(4,5)20-10-14-27-15-11-20/h6-9,20-21H,10-19H2,1-5H3
InChIKeySADOATANEYAWJN-UHFFFAOYSA-N
XLogP4.91
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.61
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine?
The IUPAC name of 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine (CID 134177344) is 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine.
What is the SMILES notation for 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine?
The canonical SMILES for 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine is CC(C)(C)c1ccccc1OCCN1CCOC(CC(C)(C)C2CCOCC2)C1.
What is the InChIKey of 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine?
The InChIKey is SADOATANEYAWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41NO3/c1-24(2,3)22-8-6-7-9-23(22)29-17-13-26-12-16-28-21(19-26)18-25(4,5)20-10-14-27-15-11-20/h6-9,20-21H,10-19H2,1-5H3.
What are the key properties of 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine?
4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine has a molecular weight of 403.61 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-tert-butylphenoxy)ethyl]-2-[2-methyl-2-(oxan-4-yl)propyl]morpholine is sourced from PubChem (CID 134177344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).