6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

C15H14BrNO — CID 116817485

IUPAC6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2cc(-c3ccccc3Br)ccc2O1
InChIInChI=1S/C15H14BrNO/c1-10-9-17-14-8-11(6-7-15(14)18-10)12-4-2-3-5-13(12)16/h2-8,10,17H,9H2,1H3
InChIKeyFUNFEMJNNIJURG-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.31
Rot. Bonds1

About 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine

6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116817485) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116817485
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCC1CNc2cc(-c3ccccc3Br)ccc2O1
InChIInChI=1S/C15H14BrNO/c1-10-9-17-14-8-11(6-7-15(14)18-10)12-4-2-3-5-13(12)16/h2-8,10,17H,9H2,1H3
InChIKeyFUNFEMJNNIJURG-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-(2-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116817465
6-(3-bromo-4-methylphenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 116817481
(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 94804094
2-methyl-6-methylsulfonyl-3,4-dihydro-2H-1,4-benzoxazine
CID 80503022
4-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-amine
CID 82025072
(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
CID 167718558
N-ethyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-amine
CID 82059310
2,6,7-trimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82229720
N-methyl-N-[2-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)ethyl]aniline
CID 82260884
6-[(3,5-dimethylcyclohexylidene)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 123180259
7-tert-butyl-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 90244467
2-methyl-3,4-dihydro-2H-1,4-benzoxazin-7-ol
CID 69369715

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 116817485) is 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is CC1CNc2cc(-c3ccccc3Br)ccc2O1.
What is the InChIKey of 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is FUNFEMJNNIJURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-9-17-14-8-11(6-7-15(14)18-10)12-4-2-3-5-13(12)16/h2-8,10,17H,9H2,1H3.
What are the key properties of 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 304.19 g/mol, XLogP of 4.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116817485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).