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

C14H17ClN4O — CID 80882080

IUPAC4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C14H17ClN4O/c1-5-16-13-17-12(15)18-14(19-13)20-11-7-8(2)6-9(3)10(11)4/h6-7H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyGGTBGHGUWLKRKN-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.67
Rot. Bonds4

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

4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80882080) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80882080
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2cc(C)cc(C)c2C)n1
InChIInChI=1S/C14H17ClN4O/c1-5-16-13-17-12(15)18-14(19-13)20-11-7-8(2)6-9(3)10(11)4/h6-7H,5H2,1-4H3,(H,16,17,18,19)
InChIKeyGGTBGHGUWLKRKN-UHFFFAOYSA-N
XLogP3.67
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
N-ethyl-4-methyl-6-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881926
4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80863984
4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 62869809
N-ethyl-5-methyl-4-(2,3,5-trimethylphenoxy)pyrimidin-2-amine
CID 80881682
4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80876402
4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865878
4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80876915
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine (CID 80882080) is 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Oc2cc(C)cc(C)c2C)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is GGTBGHGUWLKRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-5-16-13-17-12(15)18-14(19-13)20-11-7-8(2)6-9(3)10(11)4/h6-7H,5H2,1-4H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80882080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).