(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

C11H12BrFN2O — CID 58155238

IUPAC(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@@]1(c2cc(Br)ccc2F)COCC(N)=N1
InChIInChI=1S/C11H12BrFN2O/c1-11(6-16-5-10(14)15-11)8-4-7(12)2-3-9(8)13/h2-4H,5-6H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyWTWOQADALQECJV-NSHDSACASA-N
MW287.13 g/mol
LogP2.19
Rot. Bonds1

About (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine

(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (PubChem CID 58155238) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.

Molecular Properties

Compound Name(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
PubChem CID58155238
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine
SMILESC[C@@]1(c2cc(Br)ccc2F)COCC(N)=N1
InChIInChI=1S/C11H12BrFN2O/c1-11(6-16-5-10(14)15-11)8-4-7(12)2-3-9(8)13/h2-4H,5-6H2,1H3,(H2,14,15)/t11-/m0/s1
InChIKeyWTWOQADALQECJV-NSHDSACASA-N
XLogP2.19
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The IUPAC name of (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine (CID 58155238) is (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine.
What is the SMILES notation for (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The canonical SMILES for (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is C[C@@]1(c2cc(Br)ccc2F)COCC(N)=N1.
What is the InChIKey of (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
The InChIKey is WTWOQADALQECJV-NSHDSACASA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-11(6-16-5-10(14)15-11)8-4-7(12)2-3-9(8)13/h2-4H,5-6H2,1H3,(H2,14,15)/t11-/m0/s1.
What are the key properties of (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine?
(5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine has a molecular weight of 287.13 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(5-bromo-2-fluorophenyl)-5-methyl-2,6-dihydro-1,4-oxazin-3-amine is sourced from PubChem (CID 58155238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).