7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine

C9H10BrNO — CID 67186697

IUPAC7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1Br)OCCN2
InChIInChI=1S/C9H10BrNO/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5,11H,2-3H2,1H3
InChIKeyHGXXWFFEYFCKKK-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.56
Rot. Bonds

About 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine

7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 67186697) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID67186697
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1Br)OCCN2
InChIInChI=1S/C9H10BrNO/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5,11H,2-3H2,1H3
InChIKeyHGXXWFFEYFCKKK-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 649409
(6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 44411564
N-(4-Bromo-2-fluorophenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-4-carboxamide
CID 16018267
3-tert-butyl-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 3709087
6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71755610
7-Bromo-3,4-dihydro-4-methyl-2H-1,4-benzoxazine
CID 2776405
6-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine
CID 10727336
7-Bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 18008960
6,8-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571244
6-ethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 28806805
6-(propan-2-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 28806806
2,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 52983692

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 67186697) is 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc2c(cc1Br)OCCN2.
What is the InChIKey of 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is HGXXWFFEYFCKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-4-8-9(5-7(6)10)12-3-2-11-8/h4-5,11H,2-3H2,1H3.
What are the key properties of 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine?
7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 228.09 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 67186697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).