2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine

C15H14BrNO2 — CID 70100065

IUPAC2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(Br)cc1C1CNc2ccccc2O1
InChIInChI=1S/C15H14BrNO2/c1-18-13-7-6-10(16)8-11(13)15-9-17-12-4-2-3-5-14(12)19-15/h2-8,15,17H,9H2,1H3
InChIKeyXJNWZVRFMMIYBL-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.00
Rot. Bonds2

About 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine

2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 70100065) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID70100065
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESCOc1ccc(Br)cc1C1CNc2ccccc2O1
InChIInChI=1S/C15H14BrNO2/c1-18-13-7-6-10(16)8-11(13)15-9-17-12-4-2-3-5-14(12)19-15/h2-8,15,17H,9H2,1H3
InChIKeyXJNWZVRFMMIYBL-UHFFFAOYSA-N
XLogP4.00
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-7-bromo-2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945420
2-(5-bromo-2-methoxyphenyl)aziridine
CID 82473824
2-(5-bromo-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82971062
2-(5-bromo-2-fluorophenyl)-7-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 82970339
8-bromo-2-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 82970269
8-bromo-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81496466
(4S)-2-(5-bromo-2-methoxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948223
2-(5-bromo-2-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 980264
2-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 154211449
(3aS,4R,9bS)-4-(5-bromo-2-methoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
CID 6969702
6,8-dichloro-2-(2-methoxy-5-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 107676458
2-(5-bromo-2-methoxyphenyl)-1,3-dioxane
CID 14378759

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 70100065) is 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine is COc1ccc(Br)cc1C1CNc2ccccc2O1.
What is the InChIKey of 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is XJNWZVRFMMIYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-18-13-7-6-10(16)8-11(13)15-9-17-12-4-2-3-5-14(12)19-15/h2-8,15,17H,9H2,1H3.
What are the key properties of 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine?
2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 320.19 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 70100065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).