2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane

C12H17NO2 — CID 117227039

IUPAC2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane
SMILESCOc1cccc(C2NCC(C)CO2)c1
InChIInChI=1S/C12H17NO2/c1-9-7-13-12(15-8-9)10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyXNXVNAJKUUBRCM-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.95
Rot. Bonds2

About 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane

2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane (PubChem CID 117227039) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane
PubChem CID117227039
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane
SMILESCOc1cccc(C2NCC(C)CO2)c1
InChIInChI=1S/C12H17NO2/c1-9-7-13-12(15-8-9)10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3
InChIKeyXNXVNAJKUUBRCM-UHFFFAOYSA-N
XLogP1.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methoxyphenyl)-5-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

Related Compounds

2-(3-methoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82281613
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
(2S)-2-(3-methoxyphenyl)-5-methylmorpholine
CID 134607229
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
5-(3-methoxyphenyl)-1,3-oxazolidine
CID 82280696
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
3-(3-methoxyphenyl)oxetane
CID 130113867
(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
2-(3-methoxyphenyl)azetidine-3-carboxylic acid
CID 105460068
2-(3-ethoxyphenyl)-4-methyl-1,3-oxazolidine
CID 82283427
2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane
CID 70895225

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane?
The IUPAC name of 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane (CID 117227039) is 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane.
What is the SMILES notation for 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane?
The canonical SMILES for 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane is COc1cccc(C2NCC(C)CO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane?
The InChIKey is XNXVNAJKUUBRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-7-13-12(15-8-9)10-4-3-5-11(6-10)14-2/h3-6,9,12-13H,7-8H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane?
2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane has a molecular weight of 207.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-5-methyl-1,3-oxazinane is sourced from PubChem (CID 117227039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).