4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine

C13H15ClN4O — CID 80863984

IUPAC4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-4-15-12-16-11(14)17-13(18-12)19-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyWBPFZRHEIKJCLK-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.37
Rot. Bonds4

About 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine

4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80863984) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80863984
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C13H15ClN4O/c1-4-15-12-16-11(14)17-13(18-12)19-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,15,16,17,18)
InChIKeyWBPFZRHEIKJCLK-UHFFFAOYSA-N
XLogP3.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865878
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80882090
4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 80882080
4-(4-chloro-3,5-dimethylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 80875034
4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80876915
4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80876402
4-chloro-N-methyl-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80870763
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine (CID 80863984) is 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Oc2ccc(C)c(C)c2)n1.
What is the InChIKey of 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is WBPFZRHEIKJCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-4-15-12-16-11(14)17-13(18-12)19-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 278.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80863984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).