4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

C21H25NO — CID 155539029

IUPAC4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCN1CC(c2ccc(-c3ccccc3)cc2)OC2CCCCC21
InChIInChI=1S/C21H25NO/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-4,7-8,11-14,19-21H,5-6,9-10,15H2,1H3
InChIKeyFUBUNIOLVKUXOG-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.67
Rot. Bonds2

About 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine

4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (PubChem CID 155539029) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.

Molecular Properties

Compound Name4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
PubChem CID155539029
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC Name4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
SMILESCN1CC(c2ccc(-c3ccccc3)cc2)OC2CCCCC21
InChIInChI=1S/C21H25NO/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-4,7-8,11-14,19-21H,5-6,9-10,15H2,1H3
InChIKeyFUBUNIOLVKUXOG-UHFFFAOYSA-N
XLogP4.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The IUPAC name of 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine (CID 155539029) is 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine.
What is the SMILES notation for 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The canonical SMILES for 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is CN1CC(c2ccc(-c3ccccc3)cc2)OC2CCCCC21.
What is the InChIKey of 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
The InChIKey is FUBUNIOLVKUXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO/c1-22-15-21(23-20-10-6-5-9-19(20)22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-4,7-8,11-14,19-21H,5-6,9-10,15H2,1H3.
What are the key properties of 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine?
4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine has a molecular weight of 307.44 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine is sourced from PubChem (CID 155539029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).