6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine

C15H11Cl2N5O — CID 127035449

IUPAC6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C15H11Cl2N5O/c16-9-3-6-12(11(17)7-9)23-10-4-1-8(2-5-10)13-20-14(18)22-15(19)21-13/h1-7H,(H4,18,19,20,21,22)
InChIKeyJHHCBNXNWJXUNZ-UHFFFAOYSA-N
MW348.19 g/mol
LogP3.80
Rot. Bonds3

About 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine

6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 127035449) has the molecular formula C15H11Cl2N5O and a molecular weight of 348.19 g/mol. Its IUPAC name is 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID127035449
Molecular FormulaC15H11Cl2N5O
Molecular Weight348.19 g/mol
Exact Mass347.03
IUPAC Name6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1
InChIInChI=1S/C15H11Cl2N5O/c16-9-3-6-12(11(17)7-9)23-10-4-1-8(2-5-10)13-20-14(18)22-15(19)21-13/h1-7H,(H4,18,19,20,21,22)
InChIKeyJHHCBNXNWJXUNZ-UHFFFAOYSA-N
XLogP3.80
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
2-[4-(2,4-dichlorophenoxy)phenyl]furan
CID 168526554
5-[4-(2,4-dichlorophenoxy)phenyl]-3-methylsulfanyl-1H-pyrazole
CID 23855240
2-[4-(2,4-dichlorophenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22680662
methyl 4-(2,4-dichlorophenoxy)benzoate
CID 28911715
6-(2,4-dichlorophenoxy)pyridin-2-amine
CID 80653433
2-chloro-4-(2,4-dichlorophenoxy)benzonitrile
CID 21429570
6-(2,4-dichlorophenoxy)-5-phenyl-1,2,4-triazin-3-amine
CID 67363152
(4-aminophenyl) 4-[4-(2,4-dichlorophenoxy)carbonylphenyl]benzoate
CID 68526564
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
CID 102485149
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 127035449) is 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)n1.
What is the InChIKey of 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is JHHCBNXNWJXUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N5O/c16-9-3-6-12(11(17)7-9)23-10-4-1-8(2-5-10)13-20-14(18)22-15(19)21-13/h1-7H,(H4,18,19,20,21,22).
What are the key properties of 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 348.19 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127035449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).