5-(phenoxymethyl)oxazinane

C11H15NO2 — CID 20597132

IUPAC5-(phenoxymethyl)oxazinane
SMILESc1ccc(OCC2CCNOC2)cc1
InChIInChI=1S/C11H15NO2/c1-2-4-11(5-3-1)13-8-10-6-7-12-14-9-10/h1-5,10,12H,6-9H2
InChIKeyBDOBRYWWTRFLOF-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.61
Rot. Bonds3

About 5-(phenoxymethyl)oxazinane

5-(phenoxymethyl)oxazinane (PubChem CID 20597132) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(phenoxymethyl)oxazinane.

Molecular Properties

Compound Name5-(phenoxymethyl)oxazinane
PubChem CID20597132
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name5-(phenoxymethyl)oxazinane
SMILESc1ccc(OCC2CCNOC2)cc1
InChIInChI=1S/C11H15NO2/c1-2-4-11(5-3-1)13-8-10-6-7-12-14-9-10/h1-5,10,12H,6-9H2
InChIKeyBDOBRYWWTRFLOF-UHFFFAOYSA-N
XLogP1.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(phenoxymethyl)pyrrolidine
CID 26192487
cyclopropylmethoxybenzene
CID 12712156
palladium;5-(phenoxymethyl)-1-oxa-2-azanidacyclohexane
CID 59101406
cyclohexylmethoxybenzene
CID 14399287
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
[(2S,5S)-5-(phenoxymethyl)oxan-2-yl]methanamine
CID 129389570
(1S,5R)-3-(phenoxymethyl)bicyclo[3.2.1]octane
CID 70660865
4-[(4-benzylphenoxy)methyl]piperidine
CID 23722975
3-(phenoxymethyl)cyclopentan-1-amine
CID 83618605
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)oxazinane?
The IUPAC name of 5-(phenoxymethyl)oxazinane (CID 20597132) is 5-(phenoxymethyl)oxazinane.
What is the SMILES notation for 5-(phenoxymethyl)oxazinane?
The canonical SMILES for 5-(phenoxymethyl)oxazinane is c1ccc(OCC2CCNOC2)cc1.
What is the InChIKey of 5-(phenoxymethyl)oxazinane?
The InChIKey is BDOBRYWWTRFLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-4-11(5-3-1)13-8-10-6-7-12-14-9-10/h1-5,10,12H,6-9H2.
What are the key properties of 5-(phenoxymethyl)oxazinane?
5-(phenoxymethyl)oxazinane has a molecular weight of 193.25 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)oxazinane is sourced from PubChem (CID 20597132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).