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

C10H12BrNO — CID 71755610

IUPAC6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1Br)NCC(C)O2
InChIInChI=1S/C10H12BrNO/c1-6-3-10-9(4-8(6)11)12-5-7(2)13-10/h3-4,7,12H,5H2,1-2H3
InChIKeySTUKZTVEFCFQJX-UHFFFAOYSA-N
MW242.12 g/mol
LogP2.95
Rot. Bonds

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

6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 71755610) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID71755610
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
SMILESCc1cc2c(cc1Br)NCC(C)O2
InChIInChI=1S/C10H12BrNO/c1-6-3-10-9(4-8(6)11)12-5-7(2)13-10/h3-4,7,12H,5H2,1-2H3
InChIKeySTUKZTVEFCFQJX-UHFFFAOYSA-N
XLogP2.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine (CID 71755610) is 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is Cc1cc2c(cc1Br)NCC(C)O2.
What is the InChIKey of 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is STUKZTVEFCFQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6-3-10-9(4-8(6)11)12-5-7(2)13-10/h3-4,7,12H,5H2,1-2H3.
What are the key properties of 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine?
6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 242.12 g/mol, XLogP of 2.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 71755610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).