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

C13H19ClN2O — CID 3055513

IUPAC4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride
SMILESCC1CC(C)(C)N=C(Nc2ccccc2)O1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3,(H,14,15);1H
InChIKeyGYMLBHSNOXCQAY-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.46
Rot. Bonds1

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

4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride (PubChem CID 3055513) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride.

Molecular Properties

Compound Name4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride
PubChem CID3055513
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride
SMILESCC1CC(C)(C)N=C(Nc2ccccc2)O1.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3,(H,14,15);1H
InChIKeyGYMLBHSNOXCQAY-UHFFFAOYSA-N
XLogP3.46
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride?
The IUPAC name of 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride (CID 3055513) is 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride.
What is the SMILES notation for 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride?
The canonical SMILES for 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride is CC1CC(C)(C)N=C(Nc2ccccc2)O1.Cl.
What is the InChIKey of 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride?
The InChIKey is GYMLBHSNOXCQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-10-9-13(2,3)15-12(16-10)14-11-7-5-4-6-8-11;/h4-8,10H,9H2,1-3H3,(H,14,15);1H.
What are the key properties of 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride?
4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-N-phenyl-5,6-dihydro-1,3-oxazin-2-amine;hydrochloride is sourced from PubChem (CID 3055513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).