4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine

C14H12BrNO — CID 117007491

IUPAC4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
SMILESBrc1cccc(N2CCOc3ccccc32)c1
InChIInChI=1S/C14H12BrNO/c15-11-4-3-5-12(10-11)16-8-9-17-14-7-2-1-6-13(14)16/h1-7,10H,8-9H2
InChIKeyZZOWGFMEBCSZAE-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.98
Rot. Bonds1

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

4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine (PubChem CID 117007491) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
PubChem CID117007491
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine
SMILESBrc1cccc(N2CCOc3ccccc32)c1
InChIInChI=1S/C14H12BrNO/c15-11-4-3-5-12(10-11)16-8-9-17-14-7-2-1-6-13(14)16/h1-7,10H,8-9H2
InChIKeyZZOWGFMEBCSZAE-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007469
4-(3-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 174643080
4-(3-nitrophenyl)-2,3-dihydro-1,4-benzoxazine
CID 59199731
4-pyridin-3-yl-2,3-dihydro-1,4-benzoxazine
CID 90715593
2-(2,3-dihydro-1,4-benzoxazin-4-yl)aniline
CID 82391483
4-(2-chlorophenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007468
4-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)benzene-1,2-diamine
CID 106751101
7-methyl-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 58184388
4-(3-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007471
7-bromo-4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazine
CID 134282335
4-(4-chloro-2-methylphenyl)-2,3-dihydro-1,4-benzoxazine
CID 117007473
4-methylsulfanyl-2,3-dihydro-1,4-benzoxazine
CID 146777459

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine?
The IUPAC name of 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine (CID 117007491) is 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine.
What is the SMILES notation for 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine?
The canonical SMILES for 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine is Brc1cccc(N2CCOc3ccccc32)c1.
What is the InChIKey of 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine?
The InChIKey is ZZOWGFMEBCSZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-11-4-3-5-12(10-11)16-8-9-17-14-7-2-1-6-13(14)16/h1-7,10H,8-9H2.
What are the key properties of 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine?
4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine has a molecular weight of 290.16 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 117007491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).