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

C15H21NO — CID 156783370

IUPAC7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1CCC2(c3ccccc3)NCCOC2C1
InChIInChI=1S/C15H21NO/c1-12-7-8-15(13-5-3-2-4-6-13)14(11-12)17-10-9-16-15/h2-6,12,14,16H,7-11H2,1H3
InChIKeyOAWFPWGQGQOYTC-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.69
Rot. Bonds1

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

7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 156783370) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID156783370
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCC1CCC2(c3ccccc3)NCCOC2C1
InChIInChI=1S/C15H21NO/c1-12-7-8-15(13-5-3-2-4-6-13)14(11-12)17-10-9-16-15/h2-6,12,14,16H,7-11H2,1H3
InChIKeyOAWFPWGQGQOYTC-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 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 156783370) is 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CC1CCC2(c3ccccc3)NCCOC2C1.
What is the InChIKey of 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is OAWFPWGQGQOYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12-7-8-15(13-5-3-2-4-6-13)14(11-12)17-10-9-16-15/h2-6,12,14,16H,7-11H2,1H3.
What are the key properties of 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
7-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 7-methyl-4a-phenyl-2,3,4,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 156783370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).