4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one

C13H17ClN2O2 — CID 117010856

IUPAC4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(C)c(N2C(=O)OCCC2CN)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-8-5-9(2)12(11(14)6-8)16-10(7-15)3-4-18-13(16)17/h5-6,10H,3-4,7,15H2,1-2H3
InChIKeyOLTQFHMPFWNCSI-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.63
Rot. Bonds2

About 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one

4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one (PubChem CID 117010856) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one
PubChem CID117010856
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one
SMILESCc1cc(C)c(N2C(=O)OCCC2CN)c(Cl)c1
InChIInChI=1S/C13H17ClN2O2/c1-8-5-9(2)12(11(14)6-8)16-10(7-15)3-4-18-13(16)17/h5-6,10H,3-4,7,15H2,1-2H3
InChIKeyOLTQFHMPFWNCSI-UHFFFAOYSA-N
XLogP2.63
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-(3,4-dimethylphenyl)-1,3-oxazinan-2-one
CID 117010922
4-(hydroxymethyl)-3-(4-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 117011448
(5-chloro-1,4,7-trimethyl-2,3-dihydroquinoxalin-2-yl)methanamine
CID 84629598
4-(aminomethyl)-3-butan-2-yl-1,3-oxazinan-2-one
CID 117010803
4-amino-1-(2-chloro-4,6-dimethylphenyl)-5,5-dimethylpyrrolidin-2-one
CID 117023277
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one
CID 117011006
2-[3-(4-bromo-2-methylphenyl)-2-oxo-1,3-oxazinan-4-yl]acetic acid
CID 117011288
1-[1-(2-chloro-4,6-dimethylphenyl)aziridin-2-yl]-N-methylmethanamine
CID 117010202
5-(aminomethyl)-3-(2-methoxy-4,6-dimethylphenyl)-1,3-oxazolidin-2-one
CID 116838111
2-(6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl)ethanamine
CID 82077188
[6-methyl-4-(2,4,6-trimethylphenyl)morpholin-2-yl]methanamine
CID 82296607

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one (CID 117010856) is 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one is Cc1cc(C)c(N2C(=O)OCCC2CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one?
The InChIKey is OLTQFHMPFWNCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8-5-9(2)12(11(14)6-8)16-10(7-15)3-4-18-13(16)17/h5-6,10H,3-4,7,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one?
4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one has a molecular weight of 268.74 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-(2-chloro-4,6-dimethylphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117010856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).