5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one

C13H18N2O2 — CID 117002319

IUPAC5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
SMILESCNCC1COC(=O)N(c2ccccc2C)C1
InChIInChI=1S/C13H18N2O2/c1-10-5-3-4-6-12(10)15-8-11(7-14-2)9-17-13(15)16/h3-6,11,14H,7-9H2,1-2H3
InChIKeyBPQKCHBUOCGJFT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.79
Rot. Bonds3

About 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one

5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one (PubChem CID 117002319) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
PubChem CID117002319
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one
SMILESCNCC1COC(=O)N(c2ccccc2C)C1
InChIInChI=1S/C13H18N2O2/c1-10-5-3-4-6-12(10)15-8-11(7-14-2)9-17-13(15)16/h3-6,11,14H,7-9H2,1-2H3
InChIKeyBPQKCHBUOCGJFT-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,6-dimethylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002326
3-(3-bromo-4-methylphenyl)-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002344
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 117002233
3-(2-bromophenyl)-5-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011572
5-(2-aminoethyl)-3-(2-bromophenyl)-1,3-oxazinan-2-one
CID 117002429
5-(2-hydroxyethyl)-3-(2-methoxyphenyl)-1,3-oxazinan-2-one
CID 117011181
5-(methylaminomethyl)-3-(pyridin-4-ylmethyl)-1,3-oxazinan-2-one
CID 117002311
3-(3,5-dimethylphenyl)-5-[2-(methylamino)ethyl]-1,3-oxazinan-2-one
CID 117002473
5,5-dimethyl-4-(methylaminomethyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 117023339
5-(3-aminopropyl)-5-methyl-3-(2-methylphenyl)-1,3-oxazolidin-2-one
CID 115065215
3-[3-(dimethylamino)propyl]-5-(methylaminomethyl)-1,3-oxazinan-2-one
CID 117002304
N-methyl-1-[1-(4-methylphenyl)-3,4-dihydro-2H-quinolin-3-yl]methanamine
CID 163235914

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one (CID 117002319) is 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one is CNCC1COC(=O)N(c2ccccc2C)C1.
What is the InChIKey of 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one?
The InChIKey is BPQKCHBUOCGJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-5-3-4-6-12(10)15-8-11(7-14-2)9-17-13(15)16/h3-6,11,14H,7-9H2,1-2H3.
What are the key properties of 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one?
5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-3-(2-methylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117002319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).