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

C14H17ClN4O2 — CID 80870824

IUPAC4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Oc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H17ClN4O2/c1-4-16-12-17-13(20-5-2)19-14(18-12)21-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyLYPQLZIFJNVXOP-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.46
Rot. Bonds6

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

4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 80870824) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
PubChem CID80870824
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(OCC)nc(Oc2cc(Cl)ccc2C)n1
InChIInChI=1S/C14H17ClN4O2/c1-4-16-12-17-13(20-5-2)19-14(18-12)21-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H,16,17,18,19)
InChIKeyLYPQLZIFJNVXOP-UHFFFAOYSA-N
XLogP3.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(5-chloro-2-methylphenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80728885
4-(5-bromo-2-methylphenoxy)-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 107287620
2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768130
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869953
4-chloro-N-ethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869787
4-(4-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80887574
4-(3-chlorophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80892291
4-chloro-6-(2,5-difluorophenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80876402
6-(5-chloro-2-methylphenoxy)-N,5-diethylpyrimidin-4-amine
CID 80877370
N-[[2-(5-chloro-2-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189159
4-N-ethyl-6-(5-fluoro-2-methylphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102989134

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine (CID 80870824) is 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(OCC)nc(Oc2cc(Cl)ccc2C)n1.
What is the InChIKey of 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is LYPQLZIFJNVXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-4-16-12-17-13(20-5-2)19-14(18-12)21-11-8-10(15)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H,16,17,18,19).
What are the key properties of 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine?
4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 308.77 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methylphenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80870824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).