1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

C14H19NO — CID 115825472

IUPAC1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCC1CC(C)C2Nc3ccccc3OC2C1
InChIInChI=1S/C14H19NO/c1-9-7-10(2)14-13(8-9)16-12-6-4-3-5-11(12)15-14/h3-6,9-10,13-15H,7-8H2,1-2H3
InChIKeyTYCILWTYHFMVQB-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.29
Rot. Bonds

About 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine

1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 115825472) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID115825472
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCC1CC(C)C2Nc3ccccc3OC2C1
InChIInChI=1S/C14H19NO/c1-9-7-10(2)14-13(8-9)16-12-6-4-3-5-11(12)15-14/h3-6,9-10,13-15H,7-8H2,1-2H3
InChIKeyTYCILWTYHFMVQB-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5aS,11aR)-6,7,8,9,10,11,11a,12-octahydro-5aH-cycloocta[b][1,4]benzoxazine
CID 54857340
2-methylsulfanyl-2,3-dihydro-1,3-benzoxazole
CID 142926146
3,3a,9,9a-tetrahydro-1H-thieno[3,4-b][1,4]benzoxazine 2,2-dioxide
CID 84624877
3-benzyl-5,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine
CID 64751241
2-ethyl-2,3-dihydro-1,3-benzoxazole
CID 55303047
(3-methyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)methanol
CID 84618456
2-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 66584986
8-tert-butyl-2-methyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
CID 115825490
N-(2,3-dihydro-1,3-benzoxazol-2-yl)hydroxylamine
CID 13004329
(1R,2R,3aR,9aS)-2-amino-6-fluoro-1,2,3,3a,9,9a-hexahydrocyclopenta[b][1,4]benzoxazin-1-ol
CID 110157289
2-piperidin-4-yl-3,4-dihydro-2H-chromen-4-ol
CID 126844229
(2R,3S)-2-cyclopropyl-3-methyl-1,2,3,4-tetrahydroquinoline
CID 139325811

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 115825472) is 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is CC1CC(C)C2Nc3ccccc3OC2C1.
What is the InChIKey of 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is TYCILWTYHFMVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-7-10(2)14-13(8-9)16-12-6-4-3-5-11(12)15-14/h3-6,9-10,13-15H,7-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 217.31 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 115825472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).