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

C19H21NO — CID 115825734

IUPAC6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCc1cccc2c1OC1CCC(c3ccccc3)CC1N2
InChIInChI=1S/C19H21NO/c1-13-6-5-9-16-19(13)21-18-11-10-15(12-17(18)20-16)14-7-3-2-4-8-14/h2-9,15,17-18,20H,10-12H2,1H3
InChIKeyPZLIDMAKLGKWLG-UHFFFAOYSA-N
MW279.38 g/mol
LogP4.50
Rot. Bonds1

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

6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (PubChem CID 115825734) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.

Molecular Properties

Compound Name6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
PubChem CID115825734
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine
SMILESCc1cccc2c1OC1CCC(c3ccccc3)CC1N2
InChIInChI=1S/C19H21NO/c1-13-6-5-9-16-19(13)21-18-11-10-15(12-17(18)20-16)14-7-3-2-4-8-14/h2-9,15,17-18,20H,10-12H2,1H3
InChIKeyPZLIDMAKLGKWLG-UHFFFAOYSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The IUPAC name of 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine (CID 115825734) is 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine.
What is the SMILES notation for 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The canonical SMILES for 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is Cc1cccc2c1OC1CCC(c3ccccc3)CC1N2.
What is the InChIKey of 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
The InChIKey is PZLIDMAKLGKWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO/c1-13-6-5-9-16-19(13)21-18-11-10-15(12-17(18)20-16)14-7-3-2-4-8-14/h2-9,15,17-18,20H,10-12H2,1H3.
What are the key properties of 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine?
6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine has a molecular weight of 279.38 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-2,3,4,4a,10,10a-hexahydro-1H-phenoxazine is sourced from PubChem (CID 115825734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).