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

C15H15F2N3 — CID 63778925

IUPAC3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
SMILESCN1CCN(c2c(N)ccc(F)c2F)c2ccccc21
InChIInChI=1S/C15H15F2N3/c1-19-8-9-20(13-5-3-2-4-12(13)19)15-11(18)7-6-10(16)14(15)17/h2-7H,8-9,18H2,1H3
InChIKeyMAMCJUTVPYOZHX-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.13
Rot. Bonds1

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

3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline (PubChem CID 63778925) has the molecular formula C15H15F2N3 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline.

Molecular Properties

Compound Name3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
PubChem CID63778925
Molecular FormulaC15H15F2N3
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline
SMILESCN1CCN(c2c(N)ccc(F)c2F)c2ccccc21
InChIInChI=1S/C15H15F2N3/c1-19-8-9-20(13-5-3-2-4-12(13)19)15-11(18)7-6-10(16)14(15)17/h2-7H,8-9,18H2,1H3
InChIKeyMAMCJUTVPYOZHX-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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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline?
The IUPAC name of 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline (CID 63778925) is 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline.
What is the SMILES notation for 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline?
The canonical SMILES for 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline is CN1CCN(c2c(N)ccc(F)c2F)c2ccccc21.
What is the InChIKey of 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline?
The InChIKey is MAMCJUTVPYOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3/c1-19-8-9-20(13-5-3-2-4-12(13)19)15-11(18)7-6-10(16)14(15)17/h2-7H,8-9,18H2,1H3.
What are the key properties of 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline?
3,4-difluoro-2-(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 3,4-difluoro-2-(4-methyl-2,3-dihydroquinoxalin-1-yl)aniline is sourced from PubChem (CID 63778925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).