8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C17H25NO — CID 115825490

IUPAC8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCC1CCC2Oc3ccc(C(C)(C)C)cc3NC2C1
InChIInChI=1S/C17H25NO/c1-11-5-7-15-13(9-11)18-14-10-12(17(2,3)4)6-8-16(14)19-15/h6,8,10-11,13,15,18H,5,7,9H2,1-4H3
InChIKeyWGVOEBAHKYPZCQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.35
Rot. Bonds

About 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 115825490) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID115825490
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCC1CCC2Oc3ccc(C(C)(C)C)cc3NC2C1
InChIInChI=1S/C17H25NO/c1-11-5-7-15-13(9-11)18-14-10-12(17(2,3)4)6-8-16(14)19-15/h6,8,10-11,13,15,18H,5,7,9H2,1-4H3
InChIKeyWGVOEBAHKYPZCQ-UHFFFAOYSA-N
XLogP4.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-tert-butyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825492
10,18-ditert-butyl-2,6-dioxa-13,15-diazatetracyclo[14.4.0.03,5.07,12]icosa-1(16),7(12),8,10,13,14,17,19-octaene
CID 88599108
8-chloro-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825541
8-ethyl-2-propyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825516
(1S,3aR,9aS)-7-tert-butyl-1-[4-(trifluoromethyl)phenyl]-3,3a,9,9a-tetrahydro-1H-cyclopenta[b][1,4]benzoxazin-2-one
CID 71505773
2-(6-tert-butyl-3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 84639220
8-fluoro-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 84620876
6-tert-butyl-3-methylidene-4H-1,4-benzoxazine
CID 58094257
(6-tert-butyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanamine
CID 84623706
2-fluoro-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 115825695
6-tert-butyl-2-(cyclopentylmethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 103159145
2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine
CID 115825597

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 115825490) is 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is CC1CCC2Oc3ccc(C(C)(C)C)cc3NC2C1.
What is the InChIKey of 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is WGVOEBAHKYPZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-11-5-7-15-13(9-11)18-14-10-12(17(2,3)4)6-8-16(14)19-15/h6,8,10-11,13,15,18H,5,7,9H2,1-4H3.
What are the key properties of 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 259.39 g/mol, XLogP of 4.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 115825490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).