3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine

C15H14BrNO — CID 560862

IUPAC3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine
SMILESBrc1ccc2c(c1)CN(Cc1ccccc1)CO2
InChIInChI=1S/C15H14BrNO/c16-14-6-7-15-13(8-14)10-17(11-18-15)9-12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyFURVLZKWBDTECA-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.80
Rot. Bonds2

About 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine

3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine (PubChem CID 560862) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine
PubChem CID560862
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine
SMILESBrc1ccc2c(c1)CN(Cc1ccccc1)CO2
InChIInChI=1S/C15H14BrNO/c16-14-6-7-15-13(8-14)10-17(11-18-15)9-12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyFURVLZKWBDTECA-UHFFFAOYSA-N
XLogP3.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine (CID 560862) is 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine is Brc1ccc2c(c1)CN(Cc1ccccc1)CO2.
What is the InChIKey of 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine?
The InChIKey is FURVLZKWBDTECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c16-14-6-7-15-13(8-14)10-17(11-18-15)9-12-4-2-1-3-5-12/h1-8H,9-11H2.
What are the key properties of 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine?
3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine has a molecular weight of 304.19 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-bromo-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 560862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).