4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine

C11H18Cl2N4 — CID 18671082

IUPAC4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine
SMILESCCCCC(CC)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H18Cl2N4/c1-3-5-6-8(4-2)7-14-11-16-9(12)15-10(13)17-11/h8H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyORDSTAQUFOZMGW-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.81
Rot. Bonds7

About 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine (PubChem CID 18671082) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine
PubChem CID18671082
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine
SMILESCCCCC(CC)CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H18Cl2N4/c1-3-5-6-8(4-2)7-14-11-16-9(12)15-10(13)17-11/h8H,3-7H2,1-2H3,(H,14,15,16,17)
InChIKeyORDSTAQUFOZMGW-UHFFFAOYSA-N
XLogP3.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine 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-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-propylpentanenitrile
CID 71727401
1-[[4-Chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]cyclohexane-1-carbonitrile
CID 71727608
4,6-dichloro-N-dodecyl-1,3,5-triazin-2-amine
CID 33332
4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine
CID 12937544
2-Octylamino 4,6-dichloro-s-triazine
CID 3107864
N-(n-dodecyl)melamine
CID 13981477
4,6-dichloro-N-pentyl-1,3,5-triazin-2-amine
CID 21558474
6-chloro-2-N,4-N-dipentyl-1,3,5-triazine-2,4-diamine
CID 57094645
4,6-dichloro-N-(1-fluorooctyl)-1,3,5-triazin-2-amine
CID 87319777
4,6-dichloro-N-(4-fluorooctyl)-1,3,5-triazin-2-amine
CID 88282605
6-chloro-2-N-hexyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 3107861
N-[4-Chloro-6-[(2-methylpropyl)amino]-1,3,5-triazin-2-yl]-N-(2-methylpropyl)amine
CID 12250982

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine (CID 18671082) is 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine is CCCCC(CC)CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine?
The InChIKey is ORDSTAQUFOZMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N4/c1-3-5-6-8(4-2)7-14-11-16-9(12)15-10(13)17-11/h8H,3-7H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine has a molecular weight of 277.20 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-ethylhexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 18671082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).