5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane

C13H19NO — CID 117227065

IUPAC5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane
SMILESCc1ccccc1C1NCC(C)(C)CO1
InChIInChI=1S/C13H19NO/c1-10-6-4-5-7-11(10)12-14-8-13(2,3)9-15-12/h4-7,12,14H,8-9H2,1-3H3
InChIKeyRLWYEQNEMUEPBB-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.64
Rot. Bonds1

About 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane

5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane (PubChem CID 117227065) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane.

Molecular Properties

Compound Name5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane
PubChem CID117227065
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane
SMILESCc1ccccc1C1NCC(C)(C)CO1
InChIInChI=1S/C13H19NO/c1-10-6-4-5-7-11(10)12-14-8-13(2,3)9-15-12/h4-7,12,14H,8-9H2,1-3H3
InChIKeyRLWYEQNEMUEPBB-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane?
The IUPAC name of 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane (CID 117227065) is 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane.
What is the SMILES notation for 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane?
The canonical SMILES for 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane is Cc1ccccc1C1NCC(C)(C)CO1.
What is the InChIKey of 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane?
The InChIKey is RLWYEQNEMUEPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-4-5-7-11(10)12-14-8-13(2,3)9-15-12/h4-7,12,14H,8-9H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane?
5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane has a molecular weight of 205.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2-methylphenyl)-1,3-oxazinane is sourced from PubChem (CID 117227065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).