3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine

C19H23NO — CID 71021943

IUPAC3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine
SMILESCCc1ccc2c(c1)Oc1cc(C(C)(C)CC)ccc1N2
InChIInChI=1S/C19H23NO/c1-5-13-7-9-15-17(11-13)21-18-12-14(19(3,4)6-2)8-10-16(18)20-15/h7-12,20H,5-6H2,1-4H3
InChIKeyGIAYGEOLNXFEED-UHFFFAOYSA-N
MW281.40 g/mol
LogP5.79
Rot. Bonds3

About 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine

3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine (PubChem CID 71021943) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine.

Molecular Properties

Compound Name3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine
PubChem CID71021943
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine
SMILESCCc1ccc2c(c1)Oc1cc(C(C)(C)CC)ccc1N2
InChIInChI=1S/C19H23NO/c1-5-13-7-9-15-17(11-13)21-18-12-14(19(3,4)6-2)8-10-16(18)20-15/h7-12,20H,5-6H2,1-4H3
InChIKeyGIAYGEOLNXFEED-UHFFFAOYSA-N
XLogP5.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.40
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine?
The IUPAC name of 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine (CID 71021943) is 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine.
What is the SMILES notation for 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine?
The canonical SMILES for 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine is CCc1ccc2c(c1)Oc1cc(C(C)(C)CC)ccc1N2.
What is the InChIKey of 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine?
The InChIKey is GIAYGEOLNXFEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-5-13-7-9-15-17(11-13)21-18-12-14(19(3,4)6-2)8-10-16(18)20-15/h7-12,20H,5-6H2,1-4H3.
What are the key properties of 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine?
3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine has a molecular weight of 281.40 g/mol, XLogP of 5.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-(2-methylbutan-2-yl)-10H-phenoxazine is sourced from PubChem (CID 71021943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).