4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine

C13H14Cl2N4O — CID 13101696

IUPAC4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3
InChIKeyRGPIAWHCJYEDMU-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.82
Rot. Bonds5

About 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine

4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 13101696) has the molecular formula C13H14Cl2N4O and a molecular weight of 313.19 g/mol. Its IUPAC name is 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID13101696
Molecular FormulaC13H14Cl2N4O
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3
InChIKeyRGPIAWHCJYEDMU-UHFFFAOYSA-N
XLogP3.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4,6-Bis(4-chlorophenoxy)-1,3,5-triazin-2-yl]morpholine
CID 3237426
4-chloro-N,N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569239
N-(4,6-Diphenoxy-1,3,5-triazin-2-YL)-N,N-diethylamine
CID 686437
4,6-Bis(3-chlorophenoxy)-1,3,5-triazin-2-amine
CID 134914192
N2,N2,N4,N4-tetramethyl-6-phenoxy-1,3,5-triazine-2,4-diamine
CID 21754612
1,3,5-Triazin-2-amine, 4-chloro-N,N-diethyl-6-(3-fluorophenoxy)-
CID 158833
4-chloro-N,N-diethyl-6-(2-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569238
4-(3-Chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 121216106
2,4-Dichloro-6-(3-chloro-4-fluorophenoxy)-1,3,5-triazine
CID 60727009
2-Chloro-4-(3-fluorophenoxy)-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62868281
4-chloro-6-(3-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62868283
4-chloro-6-(3,4-difluorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868289

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (CID 13101696) is 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2cccc(Cl)c2)n1.
What is the InChIKey of 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is RGPIAWHCJYEDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 313.19 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-chlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 13101696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).