5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline

C13H15FN4 — CID 82479383

IUPAC5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline
SMILESCc1nc(C)nc(CCc2ccc(F)c(N)c2)n1
InChIInChI=1S/C13H15FN4/c1-8-16-9(2)18-13(17-8)6-4-10-3-5-11(14)12(15)7-10/h3,5,7H,4,6,15H2,1-2H3
InChIKeyXLZSUDLFZOXEDF-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.99
Rot. Bonds3

About 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline

5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline (PubChem CID 82479383) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline
PubChem CID82479383
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline
SMILESCc1nc(C)nc(CCc2ccc(F)c(N)c2)n1
InChIInChI=1S/C13H15FN4/c1-8-16-9(2)18-13(17-8)6-4-10-3-5-11(14)12(15)7-10/h3,5,7H,4,6,15H2,1-2H3
InChIKeyXLZSUDLFZOXEDF-UHFFFAOYSA-N
XLogP1.99
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-[2-(4-methylphenyl)ethyl]aniline
CID 58021964
2-fluoro-5-[2-(1-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]aniline
CID 82485622
5-ethyl-2-fluoroaniline
CID 10630567
2-chloro-5-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]aniline
CID 82485385
2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82479364
2-fluoro-5-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 82480263
2-[4-methyl-6-(2-phenylethyl)-1,3,5-triazin-2-yl]ethanamine
CID 96662102
2-fluoro-5-[3-(propan-2-ylamino)propyl]aniline
CID 84677881
4-[(3,5-difluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 63869112
2-chloro-5-[2-(2,6-dimethylpyrimidin-4-yl)ethyl]aniline
CID 82485386
2-fluoro-5-(hydroxysulfanylmethyl)aniline
CID 118350509
2-chloro-5-[2-(4-methylpyrimidin-2-yl)ethyl]aniline
CID 82480085

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline?
The IUPAC name of 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline (CID 82479383) is 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline is Cc1nc(C)nc(CCc2ccc(F)c(N)c2)n1.
What is the InChIKey of 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline?
The InChIKey is XLZSUDLFZOXEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-8-16-9(2)18-13(17-8)6-4-10-3-5-11(14)12(15)7-10/h3,5,7H,4,6,15H2,1-2H3.
What are the key properties of 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline?
5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline has a molecular weight of 246.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 82479383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).