8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C17H25NO — CID 115825516

IUPAC8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCCC1CCC2Oc3ccc(CC)cc3NC2C1
InChIInChI=1S/C17H25NO/c1-3-5-13-7-9-17-15(11-13)18-14-10-12(4-2)6-8-16(14)19-17/h6,8,10,13,15,17-18H,3-5,7,9,11H2,1-2H3
InChIKeyHNQYMWSQWCZUMA-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.39
Rot. Bonds3

About 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 115825516) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID115825516
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCCCC1CCC2Oc3ccc(CC)cc3NC2C1
InChIInChI=1S/C17H25NO/c1-3-5-13-7-9-17-15(11-13)18-14-10-12(4-2)6-8-16(14)19-17/h6,8,10,13,15,17-18H,3-5,7,9,11H2,1-2H3
InChIKeyHNQYMWSQWCZUMA-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825541
2-ethyl-7-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825575
7-chloro-2-ethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 114287020
2-(6-ethyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanamine
CID 84623698
6-ethyl-3-(1-methylpiperidin-4-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837543
2-(4-ethylphenoxy)-4-propylcyclohexan-1-ol
CID 63472519
6-ethyl-3-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 82230354
2-ethyl-10H-phenoxazine
CID 172732916
ethane;8-ethyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
CID 142129797
3-[1-(4-ethylphenyl)ethyl]-6-(4-propylcyclohexyl)oxan-2-one
CID 70805843
8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 84620876
6-bromo-3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837282

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 115825516) is 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is CCCC1CCC2Oc3ccc(CC)cc3NC2C1.
What is the InChIKey of 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is HNQYMWSQWCZUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-5-13-7-9-17-15(11-13)18-14-10-12(4-2)6-8-16(14)19-17/h6,8,10,13,15,17-18H,3-5,7,9,11H2,1-2H3.
What are the key properties of 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 259.39 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 115825516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).