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

C15H19ClN4O — CID 62868272

IUPAC4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccc(C)cc2C)n1
InChIInChI=1S/C15H19ClN4O/c1-5-20(6-2)14-17-13(16)18-15(19-14)21-12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3
InChIKeyNCTWTHKIZUPTKP-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.78
Rot. Bonds5

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

4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62868272) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62868272
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2ccc(C)cc2C)n1
InChIInChI=1S/C15H19ClN4O/c1-5-20(6-2)14-17-13(16)18-15(19-14)21-12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3
InChIKeyNCTWTHKIZUPTKP-UHFFFAOYSA-N
XLogP3.78
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2,4-dimethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62868271
4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868606
4-chloro-6-(2,5-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870491
4-chloro-N,N-diethyl-6-(2-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 12846659
4-chloro-6-(2,3-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868617
4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 62869809
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 62869628
2-chloro-4-(2,4-dimethylphenoxy)-6-methylpyrimidin-5-amine
CID 114044056
6-(2,4-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863196
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
4-chloro-6-ethoxy-N-ethyl-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62857400
4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 62868921

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (CID 62868272) is 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2ccc(C)cc2C)n1.
What is the InChIKey of 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is NCTWTHKIZUPTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-5-20(6-2)14-17-13(16)18-15(19-14)21-12-8-7-10(3)9-11(12)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).