2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline

C15H15F2N3 — CID 115507010

IUPAC2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
SMILESCN1CCN(c2cc(F)cc(F)c2N)c2ccccc21
InChIInChI=1S/C15H15F2N3/c1-19-6-7-20(13-5-3-2-4-12(13)19)14-9-10(16)8-11(17)15(14)18/h2-5,8-9H,6-7,18H2,1H3
InChIKeyXCKBIOLANVIHDI-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.13
Rot. Bonds1

About 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline

2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline (PubChem CID 115507010) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline.

Molecular Properties

Compound Name2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
PubChem CID115507010
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
SMILESCN1CCN(c2cc(F)cc(F)c2N)c2ccccc21
InChIInChI=1S/C15H15F2N3/c1-19-6-7-20(13-5-3-2-4-12(13)19)14-9-10(16)8-11(17)15(14)18/h2-5,8-9H,6-7,18H2,1H3
InChIKeyXCKBIOLANVIHDI-UHFFFAOYSA-N
XLogP3.13
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydroindol-1-yl)-4,6-difluoroaniline
CID 113325091
(1R)-1-[5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]ethanamine
CID 63778940
3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 63778925
1-[2-(chloromethyl)-4-fluorophenyl]-4-methyl-2,3-dihydroquinoxaline
CID 63778948
5-fluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzenecarboximidamide
CID 63776757
4-(2-amino-3,5-difluorophenyl)-1-methylpiperazin-2-one
CID 113325320
3-iodo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 66092951
3-bromo-4-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
CID 55236725
[5-chloro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)phenyl]methanamine
CID 63779100
4-(2-amino-3,5-difluorophenyl)-1,3,3-trimethylpiperazin-2-one
CID 115507159
2,4-difluoro-6-piperidin-1-ylaniline
CID 115506411
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)benzoic acid
CID 63778034

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline?
The IUPAC name of 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline (CID 115507010) is 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline.
What is the SMILES notation for 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline?
The canonical SMILES for 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline is CN1CCN(c2cc(F)cc(F)c2N)c2ccccc21.
What is the InChIKey of 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline?
The InChIKey is XCKBIOLANVIHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-19-6-7-20(13-5-3-2-4-12(13)19)14-9-10(16)8-11(17)15(14)18/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline?
2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline has a molecular weight of 275.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline is sourced from PubChem (CID 115507010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).