2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline

C15H11F2N3 — CID 53299083

IUPAC2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
SMILESFc1ccc(NCc2ccc3nccnc3c2)c(F)c1
InChIInChI=1S/C15H11F2N3/c16-11-2-4-13(12(17)8-11)20-9-10-1-3-14-15(7-10)19-6-5-18-14/h1-8,20H,9H2
InChIKeyQRNYSADUWNQDPG-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.52
Rot. Bonds3

About 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline

2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline (PubChem CID 53299083) has the molecular formula C15H11F2N3 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
PubChem CID53299083
Molecular FormulaC15H11F2N3
Molecular Weight271.27 g/mol
Exact Mass271.09
IUPAC Name2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline
SMILESFc1ccc(NCc2ccc3nccnc3c2)c(F)c1
InChIInChI=1S/C15H11F2N3/c16-11-2-4-13(12(17)8-11)20-9-10-1-3-14-15(7-10)19-6-5-18-14/h1-8,20H,9H2
InChIKeyQRNYSADUWNQDPG-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-N-(quinolin-6-ylmethyl)aniline
CID 28939327
4-fluoro-2-methyl-N-(quinoxalin-6-ylmethyl)benzenesulfonamide
CID 110672303
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
2,4-difluoro-N-(pyrimidin-4-ylmethyl)aniline
CID 62759682
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
2,4-difluoro-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]aniline
CID 62096658
N-[(3-cyclopropylphenyl)methyl]-2,4-difluoroaniline
CID 79979330
N-(quinoxalin-6-ylmethyl)ethanamine
CID 62848680
5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561558
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
N-[(4-bromo-3-fluorophenyl)methyl]-4-fluoro-2-iodoaniline
CID 81436731
1-N-[(3,4-difluorophenyl)methyl]-4-fluorobenzene-1,2-diamine
CID 54965616

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline?
The IUPAC name of 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline (CID 53299083) is 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline is Fc1ccc(NCc2ccc3nccnc3c2)c(F)c1.
What is the InChIKey of 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline?
The InChIKey is QRNYSADUWNQDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3/c16-11-2-4-13(12(17)8-11)20-9-10-1-3-14-15(7-10)19-6-5-18-14/h1-8,20H,9H2.
What are the key properties of 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline?
2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline has a molecular weight of 271.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(quinoxalin-6-ylmethyl)aniline is sourced from PubChem (CID 53299083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).