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

C14H12BrNO — CID 116837271

IUPAC3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1ccccc1C1COc2ccccc2N1
InChIInChI=1S/C14H12BrNO/c15-11-6-2-1-5-10(11)13-9-17-14-8-4-3-7-12(14)16-13/h1-8,13,16H,9H2
InChIKeyIPSMXJWXIDDVAR-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.99
Rot. Bonds1

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

3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine (PubChem CID 116837271) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine.

Molecular Properties

Compound Name3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
PubChem CID116837271
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine
SMILESBrc1ccccc1C1COc2ccccc2N1
InChIInChI=1S/C14H12BrNO/c15-11-6-2-1-5-10(11)13-9-17-14-8-4-3-7-12(14)16-13/h1-8,13,16H,9H2
InChIKeyIPSMXJWXIDDVAR-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-pyrrol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837233
6-bromo-3-(2-fluorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837314
3-(3-methylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837257
3-(4-ethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 102567383
3-(1-methylindol-3-yl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837230
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
3-propyl-3,4-dihydro-2H-1,4-benzoxazine
CID 20571251
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837220
3-(5-fluoro-2-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837207
3-(fluoromethyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 84652608
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
CID 11195468

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The IUPAC name of 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine (CID 116837271) is 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine.
What is the SMILES notation for 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The canonical SMILES for 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine is Brc1ccccc1C1COc2ccccc2N1.
What is the InChIKey of 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
The InChIKey is IPSMXJWXIDDVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-11-6-2-1-5-10(11)13-9-17-14-8-4-3-7-12(14)16-13/h1-8,13,16H,9H2.
What are the key properties of 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine?
3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine has a molecular weight of 290.16 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-3,4-dihydro-2H-1,4-benzoxazine is sourced from PubChem (CID 116837271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).