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

C15H19ClN4O — CID 62868606

IUPAC4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H19ClN4O/c1-5-20(6-2)14-17-13(16)18-15(19-14)21-12-8-10(3)7-11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKeyUNNIIQFZYMIPAR-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.78
Rot. Bonds5

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

4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (PubChem CID 62868606) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
PubChem CID62868606
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(Oc2cc(C)cc(C)c2)n1
InChIInChI=1S/C15H19ClN4O/c1-5-20(6-2)14-17-13(16)18-15(19-14)21-12-8-10(3)7-11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKeyUNNIIQFZYMIPAR-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-diethyl-1,3,5-triazin-2-amine
CID 62868272
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-N,N-diethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-1,3,5-triazin-2-amine
CID 116801128
4-chloro-6-(2,3-dichlorophenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868617
6-chloro-2-N,2-N,4-N,4-N-tetraethyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 172755084
2,4-bis(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazine
CID 139194322
4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 62868921
2,4-dichloro-6-(3,5-dimethoxyphenoxy)-1,3,5-triazine
CID 62858062
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 55124740
4-chloro-N,N-diethyl-6-[2-(2-methoxyethoxy)ethoxy]-1,3,5-triazin-2-amine
CID 104561349
4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine (CID 62868606) is 4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(Oc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
The InChIKey is UNNIIQFZYMIPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-5-20(6-2)14-17-13(16)18-15(19-14)21-12-8-10(3)7-11(4)9-12/h7-9H,5-6H2,1-4H3.
What are the key properties of 4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine?
4-chloro-6-(3,5-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-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62868606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).