6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine

C15H21NO — CID 11310800

IUPAC6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine
SMILESCC(C)CC1=NOC(C)(c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-12(2)11-14-9-10-15(3,17-16-14)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyIJJGWYREHPKBBJ-UHFFFAOYSA-N
MW231.34 g/mol
LogP4.11
Rot. Bonds3

About 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine

6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine (PubChem CID 11310800) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine
PubChem CID11310800
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine
SMILESCC(C)CC1=NOC(C)(c2ccccc2)CC1
InChIInChI=1S/C15H21NO/c1-12(2)11-14-9-10-15(3,17-16-14)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3
InChIKeyIJJGWYREHPKBBJ-UHFFFAOYSA-N
XLogP4.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine?
The IUPAC name of 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine (CID 11310800) is 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine is CC(C)CC1=NOC(C)(c2ccccc2)CC1.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine?
The InChIKey is IJJGWYREHPKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-12(2)11-14-9-10-15(3,17-16-14)13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3.
What are the key properties of 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine?
6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine has a molecular weight of 231.34 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropyl)-6-phenyl-4,5-dihydrooxazine is sourced from PubChem (CID 11310800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).