5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one

C13H18N2O2 — CID 117002233

IUPAC5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc(C)c(N2CC(CN)COC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-10(2)12(5-9)15-7-11(6-14)8-17-13(15)16/h3-5,11H,6-8,14H2,1-2H3
InChIKeyUGMHGJWUEJMJLT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds2

About 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one

5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one (PubChem CID 117002233) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
PubChem CID117002233
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1ccc(C)c(N2CC(CN)COC2=O)c1
InChIInChI=1S/C13H18N2O2/c1-9-3-4-10(2)12(5-9)15-7-11(6-14)8-17-13(15)16/h3-5,11H,6-8,14H2,1-2H3
InChIKeyUGMHGJWUEJMJLT-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one 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

3-(2,5-dimethylphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010264
5-(hydroxymethyl)-3-(2-methoxy-5-methylphenyl)-1,3-oxazinan-2-one
CID 117011560
5-(2-aminoethyl)-3-(2-bromo-4-methylphenyl)-1,3-oxazinan-2-one
CID 117002431
5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
CID 117002319
5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
CID 117002268
methyl 3-[5-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]benzoate
CID 117002275
4-(aminomethyl)-1-[5-methyl-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168659957
4-(aminomethyl)-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168659855
5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
CID 117002200
3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
CID 117002473

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one (CID 117002233) is 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one is Cc1ccc(C)c(N2CC(CN)COC2=O)c1.
What is the InChIKey of 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one?
The InChIKey is UGMHGJWUEJMJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-4-10(2)12(5-9)15-7-11(6-14)8-17-13(15)16/h3-5,11H,6-8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one?
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117002233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).