2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine

C14H15BrClN3O2 — CID 115401784

IUPAC2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C14H15BrClN3O2/c1-4-20-13-17-12(16)18-14(19-13)21-11-6-5-9(15)7-10(11)8(2)3/h5-8H,4H2,1-3H3
InChIKeyXMGNGJNBNAVPKX-UHFFFAOYSA-N
MW372.65 g/mol
LogP4.60
Rot. Bonds5

About 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine

2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine (PubChem CID 115401784) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
PubChem CID115401784
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC Name2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2ccc(Br)cc2C(C)C)n1
InChIInChI=1S/C14H15BrClN3O2/c1-4-20-13-17-12(16)18-14(19-13)21-11-6-5-9(15)7-10(11)8(2)3/h5-8H,4H2,1-3H3
InChIKeyXMGNGJNBNAVPKX-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 62869293
2-chloro-4-(2,4-dibromophenoxy)-6-methoxy-1,3,5-triazine
CID 64718654
2-bromo-6-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 113302880
4-(4-bromo-2-propan-2-ylphenoxy)-6-chloro-5-ethylpyrimidine
CID 115401775
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858053
[4-(4-bromo-2-methylphenoxy)-6-ethoxy-1,3,5-triazin-2-yl]hydrazine
CID 80925530
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
3-(4-bromo-2-propan-2-ylphenoxy)-2,5-dimethylpyrazine
CID 113302971
6-(4-bromo-2-propan-2-ylphenoxy)-2-propylpyrimidin-4-amine
CID 115403080
[6-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-3-pyridinyl]methanamine
CID 115402665
3-bromo-2-(4-bromo-2-propan-2-ylphenoxy)pyridine
CID 115402194
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine (CID 115401784) is 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine is CCOc1nc(Cl)nc(Oc2ccc(Br)cc2C(C)C)n1.
What is the InChIKey of 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine?
The InChIKey is XMGNGJNBNAVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O2/c1-4-20-13-17-12(16)18-14(19-13)21-11-6-5-9(15)7-10(11)8(2)3/h5-8H,4H2,1-3H3.
What are the key properties of 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine?
2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine has a molecular weight of 372.65 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 115401784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).