2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine

C14H15BrClN3O2 — CID 107723136

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C14H15BrClN3O2/c1-4-5-20-13-17-12(16)18-14(19-13)21-10-6-8(2)11(15)9(3)7-10/h6-7H,4-5H2,1-3H3
InChIKeyXAUHBYFLTUDEJK-UHFFFAOYSA-N
MW372.65 g/mol
LogP4.49
Rot. Bonds5

About 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine

2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine (PubChem CID 107723136) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine
PubChem CID107723136
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(Cl)nc(Oc2cc(C)c(Br)c(C)c2)n1
InChIInChI=1S/C14H15BrClN3O2/c1-4-5-20-13-17-12(16)18-14(19-13)21-10-6-8(2)11(15)9(3)7-10/h6-7H,4-5H2,1-3H3
InChIKeyXAUHBYFLTUDEJK-UHFFFAOYSA-N
XLogP4.49
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine with MolForge

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Related Compounds

2-[4-[3,5-bis[4-[(4-butoxy-6-chloro-1,3,5-triazin-2-yl)oxy]phenyl]phenyl]phenoxy]-4-butoxy-6-chloro-1,3,5-triazine
CID 51355816
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
2-chloro-4-methylsulfanyl-6-propoxy-1,3,5-triazine
CID 62865803
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
2-chloro-4-(2,4-dimethylphenyl)sulfanyl-6-propoxy-1,3,5-triazine
CID 63402169
4-(3-bromo-5-fluorophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 81325572
4-(4-bromo-3,5-dimethylphenoxy)-6-propoxypyrimidin-5-amine
CID 107722498
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62871544
4-(3,4-dichlorophenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80874024
4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80870082

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine (CID 107723136) is 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine is CCCOc1nc(Cl)nc(Oc2cc(C)c(Br)c(C)c2)n1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine?
The InChIKey is XAUHBYFLTUDEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O2/c1-4-5-20-13-17-12(16)18-14(19-13)21-10-6-8(2)11(15)9(3)7-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine?
2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine has a molecular weight of 372.65 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-4-chloro-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 107723136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).