2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline

C13H16N4O — CID 82478565

IUPAC2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
SMILESCc1nc(C)nc(CCOc2ccccc2N)n1
InChIInChI=1S/C13H16N4O/c1-9-15-10(2)17-13(16-9)7-8-18-12-6-4-3-5-11(12)14/h3-6H,7-8,14H2,1-2H3
InChIKeyFPQSMTQFUKFBAX-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.69
Rot. Bonds4

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

2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline (PubChem CID 82478565) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
PubChem CID82478565
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline
SMILESCc1nc(C)nc(CCOc2ccccc2N)n1
InChIInChI=1S/C13H16N4O/c1-9-15-10(2)17-13(16-9)7-8-18-12-6-4-3-5-11(12)14/h3-6H,7-8,14H2,1-2H3
InChIKeyFPQSMTQFUKFBAX-UHFFFAOYSA-N
XLogP1.69
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-methylpyrimidin-2-yl)ethoxy]aniline
CID 82474120
2-[2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethoxy]aniline
CID 82475294
6-[2-[2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenoxy]ethyl]-1,3,5-triazine-2,4-diamine
CID 139995577
2-[2-(4-methylphenoxy)ethoxy]aniline
CID 23010232
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
2-[2-(2-methylpyrazol-3-yl)ethoxy]aniline
CID 102999319
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[(2,5-dimethyl-1,2,4-triazol-3-yl)methoxy]aniline
CID 63746223
2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol
CID 139995584
2-octoxyaniline
CID 14747235
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline (CID 82478565) is 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline is Cc1nc(C)nc(CCOc2ccccc2N)n1.
What is the InChIKey of 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline?
The InChIKey is FPQSMTQFUKFBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-15-10(2)17-13(16-9)7-8-18-12-6-4-3-5-11(12)14/h3-6H,7-8,14H2,1-2H3.
What are the key properties of 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline?
2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline has a molecular weight of 244.30 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)ethoxy]aniline is sourced from PubChem (CID 82478565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).