4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine

C15H19ClN4O — CID 80865878

IUPAC4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2ccc(C(C)C)c(C)c2)n1
InChIInChI=1S/C15H19ClN4O/c1-5-17-14-18-13(16)19-15(20-14)21-11-6-7-12(9(2)3)10(4)8-11/h6-9H,5H2,1-4H3,(H,17,18,19,20)
InChIKeyKTVZTVPWYIFWLH-UHFFFAOYSA-N
MW306.80 g/mol
LogP4.18
Rot. Bonds5

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

4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 80865878) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
PubChem CID80865878
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Oc2ccc(C(C)C)c(C)c2)n1
InChIInChI=1S/C15H19ClN4O/c1-5-17-14-18-13(16)19-15(20-14)21-11-6-7-12(9(2)3)10(4)8-11/h6-9H,5H2,1-4H3,(H,17,18,19,20)
InChIKeyKTVZTVPWYIFWLH-UHFFFAOYSA-N
XLogP4.18
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80863984
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
N-ethyl-2-methyl-6-(3-methyl-4-propan-2-ylphenoxy)pyrimidin-4-amine
CID 80867147
4-ethoxy-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80867150
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
N-ethyl-4-methoxy-6-(4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80865175
N-ethyl-5-(3-methyl-4-propan-2-ylphenoxy)pyridin-3-amine
CID 104536367
4-[(5-bromo-3-pyridinyl)oxy]-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80876915
4-chloro-2-(3-methyl-4-propan-2-ylphenoxy)-1,3-thiazole
CID 83153578
5-(chloromethyl)-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine
CID 113387978

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine (CID 80865878) is 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Oc2ccc(C(C)C)c(C)c2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is KTVZTVPWYIFWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-5-17-14-18-13(16)19-15(20-14)21-11-6-7-12(9(2)3)10(4)8-11/h6-9H,5H2,1-4H3,(H,17,18,19,20).
What are the key properties of 4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 306.80 g/mol, XLogP of 4.18, 5 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-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80865878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).