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

C13H13Cl3N4O — CID 62870491

IUPAC4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H13Cl3N4O/c1-3-20(4-2)12-17-11(16)18-13(19-12)21-10-7-8(14)5-6-9(10)15/h5-7H,3-4H2,1-2H3
InChIKeyYJBZZSVPGLCYAP-UHFFFAOYSA-N
MW347.63 g/mol
LogP4.47
Rot. Bonds5

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

4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62870491) has the molecular formula C13H13Cl3N4O and a molecular weight of 347.63 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62870491
Molecular FormulaC13H13Cl3N4O
Molecular Weight347.63 g/mol
Exact Mass346.02
IUPAC Name4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H13Cl3N4O/c1-3-20(4-2)12-17-11(16)18-13(19-12)21-10-7-8(14)5-6-9(10)15/h5-7H,3-4H2,1-2H3
InChIKeyYJBZZSVPGLCYAP-UHFFFAOYSA-N
XLogP4.47
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.63
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (CID 62870491) is 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is YJBZZSVPGLCYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N4O/c1-3-20(4-2)12-17-11(16)18-13(19-12)21-10-7-8(14)5-6-9(10)15/h5-7H,3-4H2,1-2H3.
What are the key properties of 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 347.63 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).