N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide

C10H13BrN2O — CID 45135420

IUPACN-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide
SMILESBr.c1ccc(NC2=NCCOC2)cc1
InChIInChI=1S/C10H12N2O.BrH/c1-2-4-9(5-3-1)12-10-8-13-7-6-11-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKeyINTNVSZMZOHBMK-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.11
Rot. Bonds1

About N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide

N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide (PubChem CID 45135420) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide.

Molecular Properties

Compound NameN-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide
PubChem CID45135420
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC NameN-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide
SMILESBr.c1ccc(NC2=NCCOC2)cc1
InChIInChI=1S/C10H12N2O.BrH/c1-2-4-9(5-3-1)12-10-8-13-7-6-11-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKeyINTNVSZMZOHBMK-UHFFFAOYSA-N
XLogP2.11
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide?
The IUPAC name of N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide (CID 45135420) is N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide.
What is the SMILES notation for N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide?
The canonical SMILES for N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide is Br.c1ccc(NC2=NCCOC2)cc1.
What is the InChIKey of N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide?
The InChIKey is INTNVSZMZOHBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.BrH/c1-2-4-9(5-3-1)12-10-8-13-7-6-11-10;/h1-5H,6-8H2,(H,11,12);1H.
What are the key properties of N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide?
N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide has a molecular weight of 257.13 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3,6-dihydro-2H-1,4-oxazin-5-amine;hydrobromide is sourced from PubChem (CID 45135420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).