6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C15H20BrNO — CID 114287294

IUPAC6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCC(C)C1CCC2Oc3c(Br)cccc3NC2C1
InChIInChI=1S/C15H20BrNO/c1-9(2)10-6-7-14-13(8-10)17-12-5-3-4-11(16)15(12)18-14/h3-5,9-10,13-14,17H,6-8H2,1-2H3
InChIKeyLMZXKFAOXSMOIM-UHFFFAOYSA-N
MW310.24 g/mol
LogP4.45
Rot. Bonds1

About 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 114287294) has the molecular formula C15H20BrNO and a molecular weight of 310.24 g/mol. Its IUPAC name is 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID114287294
Molecular FormulaC15H20BrNO
Molecular Weight310.24 g/mol
Exact Mass309.07
IUPAC Name6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCC(C)C1CCC2Oc3c(Br)cccc3NC2C1
InChIInChI=1S/C15H20BrNO/c1-9(2)10-6-7-14-13(8-10)17-12-5-3-4-11(16)15(12)18-14/h3-5,9-10,13-14,17H,6-8H2,1-2H3
InChIKeyLMZXKFAOXSMOIM-UHFFFAOYSA-N
XLogP4.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine with MolForge

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Launch Full Analysis

Related Compounds

6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825741
6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825734
6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 114287304
6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine
CID 114287306
8-bromo-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81496941
6-chloro-2-(2-methylbutan-2-yl)-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 114287007
6-methyl-1,3,4,4a,10,10a-hexahydropyrano[4,3-b][1,4]benzoxazine
CID 115825726
8-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017783
N-[(1R)-1-(2-bromophenyl)ethyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562170
(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
6,7,8,9,9a,10-hexahydro-5aH-phenoxazine-4-carboxylic acid
CID 84627452
8-bromo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
CID 83825671

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 114287294) is 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is CC(C)C1CCC2Oc3c(Br)cccc3NC2C1.
What is the InChIKey of 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is LMZXKFAOXSMOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-9(2)10-6-7-14-13(8-10)17-12-5-3-4-11(16)15(12)18-14/h3-5,9-10,13-14,17H,6-8H2,1-2H3.
What are the key properties of 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 310.24 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 114287294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).