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

C9H10BrNO — CID 66648512

IUPAC6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1Br)NCCO2
InChIInChI=1S/C9H10BrNO/c1-6-4-9-8(5-7(6)10)11-2-3-12-9/h4-5,11H,2-3H2,1H3
InChIKeyUGOYGTQAWHVGKH-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.56
Rot. Bonds

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

6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 66648512) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID66648512
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1Br)NCCO2
InChIInChI=1S/C9H10BrNO/c1-6-4-9-8(5-7(6)10)11-2-3-12-9/h4-5,11H,2-3H2,1H3
InChIKeyUGOYGTQAWHVGKH-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-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71755610
6-Bromo-3,4-dihydro-2H-benzo[b][1,4]oxazine
CID 10727336
7-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 12510545
8-Bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 16244452
8-bromo-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
CID 18449100
5-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20871795
3,4-Dihydro-2,7-dimethyl-2H-1,4-benzoxazine
CID 50742480
7-bromo-6-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 67186697
6-Bromo-8-methoxy-1,2,3,4-tetrahydroquinoline
CID 68309509
8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 71742729
6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 71755652
6-bromo-8-(trifluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 122163559

Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine (CID 66648512) is 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc2c(cc1Br)NCCO2.
What is the InChIKey of 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is UGOYGTQAWHVGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6-4-9-8(5-7(6)10)11-2-3-12-9/h4-5,11H,2-3H2,1H3.
What are the key properties of 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine?
6-bromo-7-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 6-bromo-7-methyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 66648512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).