1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline

C16H17BrN2 — CID 107083737

IUPAC1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(c2ccccc2CBr)c2ccccc21
InChIInChI=1S/C16H17BrN2/c1-18-10-11-19(16-9-5-4-8-15(16)18)14-7-3-2-6-13(14)12-17/h2-9H,10-12H2,1H3
InChIKeyKDQXEJLRGLMLNE-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.17
Rot. Bonds2

About 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline

1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline (PubChem CID 107083737) has the molecular formula C16H17BrN2 and a molecular weight of 317.23 g/mol. Its IUPAC name is 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline
PubChem CID107083737
Molecular FormulaC16H17BrN2
Molecular Weight317.23 g/mol
Exact Mass316.06
IUPAC Name1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(c2ccccc2CBr)c2ccccc21
InChIInChI=1S/C16H17BrN2/c1-18-10-11-19(16-9-5-4-8-15(16)18)14-7-3-2-6-13(14)12-17/h2-9H,10-12H2,1H3
InChIKeyKDQXEJLRGLMLNE-UHFFFAOYSA-N
XLogP4.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline (CID 107083737) is 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline is CN1CCN(c2ccccc2CBr)c2ccccc21.
What is the InChIKey of 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is KDQXEJLRGLMLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2/c1-18-10-11-19(16-9-5-4-8-15(16)18)14-7-3-2-6-13(14)12-17/h2-9H,10-12H2,1H3.
What are the key properties of 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline?
1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 317.23 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)phenyl]-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 107083737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).