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

C16H23NO — CID 115825741

IUPAC6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCc1cccc2c1OC1CCC(C(C)C)CC1N2
InChIInChI=1S/C16H23NO/c1-10(2)12-7-8-15-14(9-12)17-13-6-4-5-11(3)16(13)18-15/h4-6,10,12,14-15,17H,7-9H2,1-3H3
InChIKeyPJEGABDTEOWDLA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.99
Rot. Bonds1

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

6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 115825741) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID115825741
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCc1cccc2c1OC1CCC(C(C)C)CC1N2
InChIInChI=1S/C16H23NO/c1-10(2)12-7-8-15-14(9-12)17-13-6-4-5-11(3)16(13)18-15/h4-6,10,12,14-15,17H,7-9H2,1-3H3
InChIKeyPJEGABDTEOWDLA-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 115825741) is 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is Cc1cccc2c1OC1CCC(C(C)C)CC1N2.
What is the InChIKey of 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is PJEGABDTEOWDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-10(2)12-7-8-15-14(9-12)17-13-6-4-5-11(3)16(13)18-15/h4-6,10,12,14-15,17H,7-9H2,1-3H3.
What are the key properties of 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 245.37 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 115825741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).