4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol

C16H25NO4 — CID 115746915

IUPAC4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol
SMILESCOc1ccc(OCCN(C)CC2(O)CCOCC2)cc1
InChIInChI=1S/C16H25NO4/c1-17(13-16(18)7-10-20-11-8-16)9-12-21-15-5-3-14(19-2)4-6-15/h3-6,18H,7-13H2,1-2H3
InChIKeyWJUBJLIZMJAFLU-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.55
Rot. Bonds7

About 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol

4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol (PubChem CID 115746915) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol
PubChem CID115746915
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol
SMILESCOc1ccc(OCCN(C)CC2(O)CCOCC2)cc1
InChIInChI=1S/C16H25NO4/c1-17(13-16(18)7-10-20-11-8-16)9-12-21-15-5-3-14(19-2)4-6-15/h3-6,18H,7-13H2,1-2H3
InChIKeyWJUBJLIZMJAFLU-UHFFFAOYSA-N
XLogP1.55
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol (CID 115746915) is 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol is COc1ccc(OCCN(C)CC2(O)CCOCC2)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol?
The InChIKey is WJUBJLIZMJAFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-17(13-16(18)7-10-20-11-8-16)9-12-21-15-5-3-14(19-2)4-6-15/h3-6,18H,7-13H2,1-2H3.
What are the key properties of 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol?
4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol has a molecular weight of 295.38 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenoxy)ethyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 115746915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).