2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine

C15H21NO — CID 115825597

IUPAC2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine
SMILESCc1ccc2c(c1)NC1CC(C)(C)CCC1O2
InChIInChI=1S/C15H21NO/c1-10-4-5-13-11(8-10)16-12-9-15(2,3)7-6-14(12)17-13/h4-5,8,12,14,16H,6-7,9H2,1-3H3
InChIKeyCYOZRCOTHNJRFZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.75
Rot. Bonds

About 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine

2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine (PubChem CID 115825597) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine.

Molecular Properties

Compound Name2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine
PubChem CID115825597
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine
SMILESCc1ccc2c(c1)NC1CC(C)(C)CCC1O2
InChIInChI=1S/C15H21NO/c1-10-4-5-13-11(8-10)16-12-9-15(2,3)7-6-14(12)17-13/h4-5,8,12,14,16H,6-7,9H2,1-3H3
InChIKeyCYOZRCOTHNJRFZ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine?
The IUPAC name of 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine (CID 115825597) is 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine.
What is the SMILES notation for 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine?
The canonical SMILES for 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine is Cc1ccc2c(c1)NC1CC(C)(C)CCC1O2.
What is the InChIKey of 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine?
The InChIKey is CYOZRCOTHNJRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-4-5-13-11(8-10)16-12-9-15(2,3)7-6-14(12)17-13/h4-5,8,12,14,16H,6-7,9H2,1-3H3.
What are the key properties of 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine?
2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine has a molecular weight of 231.34 g/mol, XLogP of 3.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine is sourced from PubChem (CID 115825597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).