4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine

C17H14Cl2N4 — CID 135338335

IUPAC4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1
InChIInChI=1S/C17H14Cl2N4/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)20-17-22-15(18)21-16(19)23-17/h3-10H,2H2,1H3,(H,20,21,22,23)
InChIKeyQFUQIBUYPIXKRK-UHFFFAOYSA-N
MW345.23 g/mol
LogP5.15
Rot. Bonds4

About 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 135338335) has the molecular formula C17H14Cl2N4 and a molecular weight of 345.23 g/mol. Its IUPAC name is 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine
PubChem CID135338335
Molecular FormulaC17H14Cl2N4
Molecular Weight345.23 g/mol
Exact Mass344.06
IUPAC Name4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine
SMILESCCc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1
InChIInChI=1S/C17H14Cl2N4/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)20-17-22-15(18)21-16(19)23-17/h3-10H,2H2,1H3,(H,20,21,22,23)
InChIKeyQFUQIBUYPIXKRK-UHFFFAOYSA-N
XLogP5.15
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.23
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62868831
2-N-(4-chlorophenyl)-4-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928668
4-N-(4-chlorophenyl)-2-N-(4-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928718
4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine
CID 149100752
4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
CID 102176522
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
2-chloro-5-(4-ethylphenyl)pyrimidine
CID 82114110
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
4-(4-ethylphenyl)-N-methylaniline
CID 83639646
2-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenyl]ethyl hydrogen sulfate
CID 101054965
3-N-(4-chlorophenyl)-5-N-(4-ethylphenyl)-1,2,4-triazine-3,5-diamine
CID 112964162
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine (CID 135338335) is 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine is CCc1ccc(-c2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)cc1.
What is the InChIKey of 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is QFUQIBUYPIXKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)20-17-22-15(18)21-16(19)23-17/h3-10H,2H2,1H3,(H,20,21,22,23).
What are the key properties of 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 345.23 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 135338335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).