5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid

C19H19F3N2O3 — CID 54760868

IUPAC5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid
SMILESCC1(c2cccc(-c3ccccc3)c2)COCC(N)=N1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18N2O.C2HF3O2/c1-17(12-20-11-16(18)19-17)15-9-5-8-14(10-15)13-6-3-2-4-7-13;3-2(4,5)1(6)7/h2-10H,11-12H2,1H3,(H2,18,19);(H,6,7)
InChIKeyHGXLHDWTVOFREC-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.59
Rot. Bonds2

About 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid

5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid (PubChem CID 54760868) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid
PubChem CID54760868
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid
SMILESCC1(c2cccc(-c3ccccc3)c2)COCC(N)=N1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H18N2O.C2HF3O2/c1-17(12-20-11-16(18)19-17)15-9-5-8-14(10-15)13-6-3-2-4-7-13;3-2(4,5)1(6)7/h2-10H,11-12H2,1H3,(H2,18,19);(H,6,7)
InChIKeyHGXLHDWTVOFREC-UHFFFAOYSA-N
XLogP3.59
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid (CID 54760868) is 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid is CC1(c2cccc(-c3ccccc3)c2)COCC(N)=N1.O=C(O)C(F)(F)F.
What is the InChIKey of 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid?
The InChIKey is HGXLHDWTVOFREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.C2HF3O2/c1-17(12-20-11-16(18)19-17)15-9-5-8-14(10-15)13-6-3-2-4-7-13;3-2(4,5)1(6)7/h2-10H,11-12H2,1H3,(H2,18,19);(H,6,7).
What are the key properties of 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid?
5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid has a molecular weight of 380.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(3-phenylphenyl)-2,6-dihydro-1,4-oxazin-3-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 54760868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).