7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine

C16H16BrNO — CID 116837441

IUPAC7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccccc1C1COc2cc(Br)ccc2N1C
InChIInChI=1S/C16H16BrNO/c1-11-5-3-4-6-13(11)15-10-19-16-9-12(17)7-8-14(16)18(15)2/h3-9,15H,10H2,1-2H3
InChIKeyMJUPWVNLJWKBSG-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.33
Rot. Bonds1

About 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine

7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 116837441) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID116837441
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
SMILESCc1ccccc1C1COc2cc(Br)ccc2N1C
InChIInChI=1S/C16H16BrNO/c1-11-5-3-4-6-13(11)15-10-19-16-9-12(17)7-8-14(16)18(15)2/h3-9,15H,10H2,1-2H3
InChIKeyMJUPWVNLJWKBSG-UHFFFAOYSA-N
XLogP4.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 116837444
3-amino-8-bromo-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135309092
(3S)-3-amino-8-bromo-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;hydrochloride
CID 135309087
7-bromo-2-(2-methylphenyl)-2,3-dihydrochromen-4-one
CID 114673081
3,4,7-trimethyl-2,3-dihydro-1,4-benzoxazine
CID 83752703
6-bromo-3-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 116837335
(4R)-6-bromo-2-(2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947544
6-bromo-4-methyl-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 84641701
6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
CID 123581940
8-bromo-5-(2-methylphenyl)-12,13-dihydro-4bH-isoquinolino[2,1-a]quinazolin-6-one
CID 102599752
6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837314
(3S)-8-bromo-3-[2-[(2-fluorophenyl)methyl]-3-methyl-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135309070

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine (CID 116837441) is 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine is Cc1ccccc1C1COc2cc(Br)ccc2N1C.
What is the InChIKey of 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is MJUPWVNLJWKBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-5-3-4-6-13(11)15-10-19-16-9-12(17)7-8-14(16)18(15)2/h3-9,15H,10H2,1-2H3.
What are the key properties of 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine?
7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 318.21 g/mol, XLogP of 4.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methyl-3-(2-methylphenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 116837441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).