2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C15H21NO — CID 115825575

IUPAC2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCC1CCC2Oc3cc(C)ccc3NC2C1
InChIInChI=1S/C15H21NO/c1-3-11-5-7-14-13(9-11)16-12-6-4-10(2)8-15(12)17-14/h4,6,8,11,13-14,16H,3,5,7,9H2,1-2H3
InChIKeyGQFFLHIXINENQX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.75
Rot. Bonds1

About 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 115825575) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID115825575
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCC1CCC2Oc3cc(C)ccc3NC2C1
InChIInChI=1S/C15H21NO/c1-3-11-5-7-14-13(9-11)16-12-6-4-10(2)8-15(12)17-14/h4,6,8,11,13-14,16H,3,5,7,9H2,1-2H3
InChIKeyGQFFLHIXINENQX-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 115825575) is 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is CCC1CCC2Oc3cc(C)ccc3NC2C1.
What is the InChIKey of 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is GQFFLHIXINENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-11-5-7-14-13(9-11)16-12-6-4-10(2)8-15(12)17-14/h4,6,8,11,13-14,16H,3,5,7,9H2,1-2H3.
What are the key properties of 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 231.34 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 115825575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).