2-ethyl-7-propan-2-yl-10H-phenoxazine

C17H19NO — CID 70831087

IUPAC2-ethyl-7-propan-2-yl-10H-phenoxazine
SMILESCCc1ccc2c(c1)Nc1ccc(C(C)C)cc1O2
InChIInChI=1S/C17H19NO/c1-4-12-5-8-16-15(9-12)18-14-7-6-13(11(2)3)10-17(14)19-16/h5-11,18H,4H2,1-3H3
InChIKeyBPVZWGBQTIJFQA-UHFFFAOYSA-N
MW253.34 g/mol
LogP5.22
Rot. Bonds2

About 2-ethyl-7-propan-2-yl-10H-phenoxazine

2-ethyl-7-propan-2-yl-10H-phenoxazine (PubChem CID 70831087) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-ethyl-7-propan-2-yl-10H-phenoxazine.

Molecular Properties

Compound Name2-ethyl-7-propan-2-yl-10H-phenoxazine
PubChem CID70831087
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name2-ethyl-7-propan-2-yl-10H-phenoxazine
SMILESCCc1ccc2c(c1)Nc1ccc(C(C)C)cc1O2
InChIInChI=1S/C17H19NO/c1-4-12-5-8-16-15(9-12)18-14-7-6-13(11(2)3)10-17(14)19-16/h5-11,18H,4H2,1-3H3
InChIKeyBPVZWGBQTIJFQA-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.34
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-propan-2-yl-10H-phenoxazine?
The IUPAC name of 2-ethyl-7-propan-2-yl-10H-phenoxazine (CID 70831087) is 2-ethyl-7-propan-2-yl-10H-phenoxazine.
What is the SMILES notation for 2-ethyl-7-propan-2-yl-10H-phenoxazine?
The canonical SMILES for 2-ethyl-7-propan-2-yl-10H-phenoxazine is CCc1ccc2c(c1)Nc1ccc(C(C)C)cc1O2.
What is the InChIKey of 2-ethyl-7-propan-2-yl-10H-phenoxazine?
The InChIKey is BPVZWGBQTIJFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-4-12-5-8-16-15(9-12)18-14-7-6-13(11(2)3)10-17(14)19-16/h5-11,18H,4H2,1-3H3.
What are the key properties of 2-ethyl-7-propan-2-yl-10H-phenoxazine?
2-ethyl-7-propan-2-yl-10H-phenoxazine has a molecular weight of 253.34 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-propan-2-yl-10H-phenoxazine is sourced from PubChem (CID 70831087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).