3-benzyl-2-methyl-1,3-oxazinane

C12H17NO — CID 14596184

IUPAC3-benzyl-2-methyl-1,3-oxazinane
SMILESCC1OCCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-11-13(8-5-9-14-11)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyNRGZNCIPYDBMPF-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.25
Rot. Bonds2

About 3-benzyl-2-methyl-1,3-oxazinane

3-benzyl-2-methyl-1,3-oxazinane (PubChem CID 14596184) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-benzyl-2-methyl-1,3-oxazinane.

Molecular Properties

Compound Name3-benzyl-2-methyl-1,3-oxazinane
PubChem CID14596184
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-benzyl-2-methyl-1,3-oxazinane
SMILESCC1OCCCN1Cc1ccccc1
InChIInChI=1S/C12H17NO/c1-11-13(8-5-9-14-11)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3
InChIKeyNRGZNCIPYDBMPF-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-benzyl-2-methyl-1,3-oxazinane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-1,3-oxazinane?
The IUPAC name of 3-benzyl-2-methyl-1,3-oxazinane (CID 14596184) is 3-benzyl-2-methyl-1,3-oxazinane.
What is the SMILES notation for 3-benzyl-2-methyl-1,3-oxazinane?
The canonical SMILES for 3-benzyl-2-methyl-1,3-oxazinane is CC1OCCCN1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-methyl-1,3-oxazinane?
The InChIKey is NRGZNCIPYDBMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11-13(8-5-9-14-11)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10H2,1H3.
What are the key properties of 3-benzyl-2-methyl-1,3-oxazinane?
3-benzyl-2-methyl-1,3-oxazinane has a molecular weight of 191.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-1,3-oxazinane is sourced from PubChem (CID 14596184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).