10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine

C25H27NO — CID 59572426

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
SMILESCc1ccc2c(c1)Oc1ccccc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C25H27NO/c1-16-11-12-21-23(13-16)27-22-10-8-7-9-20(22)26(21)24-17(2)14-19(15-18(24)3)25(4,5)6/h7-15H,1-6H3
InChIKeyJADGNCKJHKJSAK-UHFFFAOYSA-N
MW357.50 g/mol
LogP7.48
Rot. Bonds1

About 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine

10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine (PubChem CID 59572426) has the molecular formula C25H27NO and a molecular weight of 357.50 g/mol. Its IUPAC name is 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
PubChem CID59572426
Molecular FormulaC25H27NO
Molecular Weight357.50 g/mol
Exact Mass357.21
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine
SMILESCc1ccc2c(c1)Oc1ccccc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C25H27NO/c1-16-11-12-21-23(13-16)27-22-10-8-7-9-20(22)26(21)24-17(2)14-19(15-18(24)3)25(4,5)6/h7-15H,1-6H3
InChIKeyJADGNCKJHKJSAK-UHFFFAOYSA-N
XLogP7.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,17-dimethyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 163572005
6-(4-tert-butyl-2,6-dimethylphenyl)-2,9-dimethylquinolino[3,2-b][1,4]benzoxazine
CID 59572612
12-(2,4,6-trimethylphenyl)benzo[b]phenoxazine
CID 59573636
10-(4-tert-butyl-2,6-dimethylphenyl)-3,7-dimethylphenothiazine
CID 59184123
11-(4-tert-butyl-2,6-dimethylphenyl)-3,9-dimethyl-[1]benzothiolo[2,3-b][1,4]benzoxazine
CID 59573303
11-(4-tert-butyl-2,6-dimethylphenyl)-3,8-dimethylbenzo[c][1,2,5]benzotriazepine
CID 59573100
9-(2,4,6-trimethylphenyl)thieno[3,2-b][1,4]benzoxazine
CID 59573255
13-(4-tert-butyl-2,6-dimethylphenyl)-9,17-dimethyl-2-oxa-13-azapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 59572922
3,7-dimethyl-10-(2-phenylphenyl)phenoxazine
CID 59573736
5-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethylpyrimido[4,5-b][1,4]benzoxazine
CID 59572486
1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine
CID 170244430
2-(4-tert-butyl-2,6-dimethylphenyl)-6-methyl-9-oxa-2,4,14-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
CID 59573057

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine (CID 59572426) is 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine is Cc1ccc2c(c1)Oc1ccccc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine?
The InChIKey is JADGNCKJHKJSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO/c1-16-11-12-21-23(13-16)27-22-10-8-7-9-20(22)26(21)24-17(2)14-19(15-18(24)3)25(4,5)6/h7-15H,1-6H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine?
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine has a molecular weight of 357.50 g/mol, XLogP of 7.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylphenoxazine is sourced from PubChem (CID 59572426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).