5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C15H21NO — CID 156783393

IUPAC5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1CCCC2OCCNC12c1ccccc1
InChIInChI=1S/C15H21NO/c1-12-6-5-9-14-15(12,16-10-11-17-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKeyMXMIIOGZPLGPFG-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds1

About 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 156783393) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID156783393
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1CCCC2OCCNC12c1ccccc1
InChIInChI=1S/C15H21NO/c1-12-6-5-9-14-15(12,16-10-11-17-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3
InChIKeyMXMIIOGZPLGPFG-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 156783393) is 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CC1CCCC2OCCNC12c1ccccc1.
What is the InChIKey of 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is MXMIIOGZPLGPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-6-5-9-14-15(12,16-10-11-17-14)13-7-3-2-4-8-13/h2-4,7-8,12,14,16H,5-6,9-11H2,1H3.
What are the key properties of 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 231.34 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 156783393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).