N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine

C11H11BrF2N2O — CID 135182002

IUPACN-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESCC1COCC(Nc2c(F)cc(Br)cc2F)=N1
InChIInChI=1S/C11H11BrF2N2O/c1-6-4-17-5-10(15-6)16-11-8(13)2-7(12)3-9(11)14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyDMSWEMMSXIYDCT-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.96
Rot. Bonds1

About N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine

N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine (PubChem CID 135182002) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine
PubChem CID135182002
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine
SMILESCC1COCC(Nc2c(F)cc(Br)cc2F)=N1
InChIInChI=1S/C11H11BrF2N2O/c1-6-4-17-5-10(15-6)16-11-8(13)2-7(12)3-9(11)14/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyDMSWEMMSXIYDCT-UHFFFAOYSA-N
XLogP2.96
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine (CID 135182002) is N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine is CC1COCC(Nc2c(F)cc(Br)cc2F)=N1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
The InChIKey is DMSWEMMSXIYDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c1-6-4-17-5-10(15-6)16-11-8(13)2-7(12)3-9(11)14/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine?
N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine has a molecular weight of 305.12 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-3-methyl-3,6-dihydro-2H-1,4-oxazin-5-amine is sourced from PubChem (CID 135182002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).