3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane

C18H21NO2 — CID 10334032

IUPAC3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane
SMILESc1ccc(OCc2ccccc2CN2CCCOC2)cc1
InChIInChI=1S/C18H21NO2/c1-2-9-18(10-3-1)21-14-17-8-5-4-7-16(17)13-19-11-6-12-20-15-19/h1-5,7-10H,6,11-15H2
InChIKeyKMVZEGKHXITGOD-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds5

About 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane

3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane (PubChem CID 10334032) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane.

Molecular Properties

Compound Name3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane
PubChem CID10334032
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane
SMILESc1ccc(OCc2ccccc2CN2CCCOC2)cc1
InChIInChI=1S/C18H21NO2/c1-2-9-18(10-3-1)21-14-17-8-5-4-7-16(17)13-19-11-6-12-20-15-19/h1-5,7-10H,6,11-15H2
InChIKeyKMVZEGKHXITGOD-UHFFFAOYSA-N
XLogP3.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane?
The IUPAC name of 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane (CID 10334032) is 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane.
What is the SMILES notation for 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane?
The canonical SMILES for 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane is c1ccc(OCc2ccccc2CN2CCCOC2)cc1.
What is the InChIKey of 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane?
The InChIKey is KMVZEGKHXITGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-9-18(10-3-1)21-14-17-8-5-4-7-16(17)13-19-11-6-12-20-15-19/h1-5,7-10H,6,11-15H2.
What are the key properties of 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane?
3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane has a molecular weight of 283.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane is sourced from PubChem (CID 10334032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).