4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride

C11H15ClN2O — CID 169431991

IUPAC4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride
SMILESCC1(c2ccccc2)CCOC(N)=N1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-11(7-8-14-10(12)13-11)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3,(H2,12,13);1H
InChIKeyJFKRIAQDDMCBNB-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.06
Rot. Bonds1

About 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride

4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride (PubChem CID 169431991) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride
PubChem CID169431991
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride
SMILESCC1(c2ccccc2)CCOC(N)=N1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-11(7-8-14-10(12)13-11)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3,(H2,12,13);1H
InChIKeyJFKRIAQDDMCBNB-UHFFFAOYSA-N
XLogP2.06
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride?
The IUPAC name of 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride (CID 169431991) is 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride.
What is the SMILES notation for 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride?
The canonical SMILES for 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride is CC1(c2ccccc2)CCOC(N)=N1.Cl.
What is the InChIKey of 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride?
The InChIKey is JFKRIAQDDMCBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-11(7-8-14-10(12)13-11)9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3,(H2,12,13);1H.
What are the key properties of 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride?
4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride is sourced from PubChem (CID 169431991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).