6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one

C13H18N2O2 — CID 105494508

IUPAC6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one
SMILESCN1CCC(C)(c2ccccc2CN)OC1=O
InChIInChI=1S/C13H18N2O2/c1-13(7-8-15(2)12(16)17-13)11-6-4-3-5-10(11)9-14/h3-6H,7-9,14H2,1-2H3
InChIKeyBGURBHUFBWEYEE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.83
Rot. Bonds2

About 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one

6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one (PubChem CID 105494508) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one
PubChem CID105494508
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one
SMILESCN1CCC(C)(c2ccccc2CN)OC1=O
InChIInChI=1S/C13H18N2O2/c1-13(7-8-15(2)12(16)17-13)11-6-4-3-5-10(11)9-14/h3-6H,7-9,14H2,1-2H3
InChIKeyBGURBHUFBWEYEE-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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one?
The IUPAC name of 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one (CID 105494508) is 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one.
What is the SMILES notation for 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one?
The canonical SMILES for 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one is CN1CCC(C)(c2ccccc2CN)OC1=O.
What is the InChIKey of 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one?
The InChIKey is BGURBHUFBWEYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-13(7-8-15(2)12(16)17-13)11-6-4-3-5-10(11)9-14/h3-6H,7-9,14H2,1-2H3.
What are the key properties of 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one?
6-[2-(aminomethyl)phenyl]-3,6-dimethyl-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 6-[2-(aminomethyl)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one is sourced from PubChem (CID 105494508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).