4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C13H14Cl2N4O2 — CID 80874024

IUPAC4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O2/c1-3-6-20-12-17-11(16-2)18-13(19-12)21-8-4-5-9(14)10(15)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyAUCZYGVWOBAMSQ-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.80
Rot. Bonds6

About 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80874024) has the molecular formula C13H14Cl2N4O2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80874024
Molecular FormulaC13H14Cl2N4O2
Molecular Weight329.19 g/mol
Exact Mass328.05
IUPAC Name4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NC)nc(Oc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H14Cl2N4O2/c1-3-6-20-12-17-11(16-2)18-13(19-12)21-8-4-5-9(14)10(15)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyAUCZYGVWOBAMSQ-UHFFFAOYSA-N
XLogP3.80
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80878774
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
[4-(4-chlorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915901
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
[4-(3,4-difluorophenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911575
N-methyl-4-propoxy-6-(1-propylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116806261
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
4-[(3-chloro-2-pyridinyl)sulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890630
[4-(4-methylsulfanylphenoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80924065
4-chloro-N-methyl-6-pentoxy-1,3,5-triazin-2-amine
CID 80866765

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 80874024) is 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NC)nc(Oc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is AUCZYGVWOBAMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4O2/c1-3-6-20-12-17-11(16-2)18-13(19-12)21-8-4-5-9(14)10(15)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 329.19 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80874024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).