4-phenyl-2-propan-2-yl-3,6-dihydrooxazine

C13H17NO — CID 12580580

IUPAC4-phenyl-2-propan-2-yl-3,6-dihydrooxazine
SMILESCC(C)N1CC(c2ccccc2)=CCO1
InChIInChI=1S/C13H17NO/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3
InChIKeyKZXMOJNFCFDETE-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.73
Rot. Bonds2

About 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine

4-phenyl-2-propan-2-yl-3,6-dihydrooxazine (PubChem CID 12580580) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine.

Molecular Properties

Compound Name4-phenyl-2-propan-2-yl-3,6-dihydrooxazine
PubChem CID12580580
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name4-phenyl-2-propan-2-yl-3,6-dihydrooxazine
SMILESCC(C)N1CC(c2ccccc2)=CCO1
InChIInChI=1S/C13H17NO/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3
InChIKeyKZXMOJNFCFDETE-UHFFFAOYSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine?
The IUPAC name of 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine (CID 12580580) is 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine.
What is the SMILES notation for 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine?
The canonical SMILES for 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine is CC(C)N1CC(c2ccccc2)=CCO1.
What is the InChIKey of 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine?
The InChIKey is KZXMOJNFCFDETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-11(2)14-10-13(8-9-15-14)12-6-4-3-5-7-12/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine?
4-phenyl-2-propan-2-yl-3,6-dihydrooxazine has a molecular weight of 203.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-yl-3,6-dihydrooxazine is sourced from PubChem (CID 12580580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).