6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine

C14H18BrNO — CID 114287306

IUPAC6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine
SMILESCC1(C)CCCC2Nc3cccc(Br)c3OC21
InChIInChI=1S/C14H18BrNO/c1-14(2)8-4-7-11-13(14)17-12-9(15)5-3-6-10(12)16-11/h3,5-6,11,13,16H,4,7-8H2,1-2H3
InChIKeyRAMTYXASSJQWJX-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.20
Rot. Bonds

About 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine

6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine (PubChem CID 114287306) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine.

Molecular Properties

Compound Name6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine
PubChem CID114287306
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC Name6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine
SMILESCC1(C)CCCC2Nc3cccc(Br)c3OC21
InChIInChI=1S/C14H18BrNO/c1-14(2)8-4-7-11-13(14)17-12-9(15)5-3-6-10(12)16-11/h3,5-6,11,13,16H,4,7-8H2,1-2H3
InChIKeyRAMTYXASSJQWJX-UHFFFAOYSA-N
XLogP4.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 114287294
6-bromo-4b,10,10a,11-tetrahydroindeno[1,2-b][1,4]benzoxazine
CID 114287304
8-bromo-2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 79017783
(3aS,9bS)-6-bromo-3a-methyl-2,3,4,9b-tetrahydro-1H-chromeno[3,4-b]pyrrole
CID 147653864
8-bromo-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
CID 83825671
(3-bromo-2-fluorophenyl)-(2,2-dimethylcyclopentyl)methanol
CID 107193133
8-bromo-2-methyl-3,4-dihydro-1,4-benzoxazine-2-carbonitrile
CID 169122209
1-(8-bromo-3,4-dihydro-2H-1,4-benzoxazin-3-yl)-N-methylmethanamine
CID 84636424
(6S)-10-bromo-6-methyl-5,6-dihydrobenzo[b][1,4]benzoxazepine
CID 53492879
8-bromo-2-(propan-2-yloxymethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81496941
8,8-dimethyl-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
CID 115824648
8-bromo-3,4-dihydro-2H-1,4-benzoxazine;ethane
CID 177141875

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine?
The IUPAC name of 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine (CID 114287306) is 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine.
What is the SMILES notation for 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine?
The canonical SMILES for 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine is CC1(C)CCCC2Nc3cccc(Br)c3OC21.
What is the InChIKey of 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine?
The InChIKey is RAMTYXASSJQWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-14(2)8-4-7-11-13(14)17-12-9(15)5-3-6-10(12)16-11/h3,5-6,11,13,16H,4,7-8H2,1-2H3.
What are the key properties of 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine?
6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine has a molecular weight of 296.21 g/mol, XLogP of 4.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,4-dimethyl-1,2,3,4a,10,10a-hexahydrophenoxazine is sourced from PubChem (CID 114287306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).