2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine

C15H14BrNO — CID 70943664

IUPAC2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine
SMILESCc1ccc2c(c1)COC(c1cccc(Br)c1)N2
InChIInChI=1S/C15H14BrNO/c1-10-5-6-14-12(7-10)9-18-15(17-14)11-3-2-4-13(16)8-11/h2-8,15,17H,9H2,1H3
InChIKeyMSQMKYCPOWLIDY-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.40
Rot. Bonds1

About 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine

2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine (PubChem CID 70943664) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine
PubChem CID70943664
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine
SMILESCc1ccc2c(c1)COC(c1cccc(Br)c1)N2
InChIInChI=1S/C15H14BrNO/c1-10-5-6-14-12(7-10)9-18-15(17-14)11-3-2-4-13(16)8-11/h2-8,15,17H,9H2,1H3
InChIKeyMSQMKYCPOWLIDY-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The IUPAC name of 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine (CID 70943664) is 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine.
What is the SMILES notation for 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The canonical SMILES for 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine is Cc1ccc2c(c1)COC(c1cccc(Br)c1)N2.
What is the InChIKey of 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine?
The InChIKey is MSQMKYCPOWLIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-5-6-14-12(7-10)9-18-15(17-14)11-3-2-4-13(16)8-11/h2-8,15,17H,9H2,1H3.
What are the key properties of 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine?
2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine has a molecular weight of 304.19 g/mol, XLogP of 4.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-methyl-2,4-dihydro-1H-3,1-benzoxazine is sourced from PubChem (CID 70943664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).