4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine

C11H11BrN4O2 — CID 80869998

IUPAC4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C11H11BrN4O2/c1-2-17-10-14-9(13)15-11(16-10)18-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyRTXRPMZDHUDHLX-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.41
Rot. Bonds4

About 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine

4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 80869998) has the molecular formula C11H11BrN4O2 and a molecular weight of 311.14 g/mol. Its IUPAC name is 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID80869998
Molecular FormulaC11H11BrN4O2
Molecular Weight311.14 g/mol
Exact Mass310.01
IUPAC Name4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(Oc2cccc(Br)c2)n1
InChIInChI=1S/C11H11BrN4O2/c1-2-17-10-14-9(13)15-11(16-10)18-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyRTXRPMZDHUDHLX-UHFFFAOYSA-N
XLogP2.41
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-bromophenoxy)-6-propoxy-1,3,5-triazin-2-amine
CID 80870082
4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
4-(4-chlorophenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 80863734
4-ethoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863450
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
4-ethoxy-6-(3-methyl-4-propan-2-ylphenoxy)-1,3,5-triazin-2-amine
CID 80867150
4-(2-bromo-4-methoxyphenoxy)-6-ethoxy-1,3,5-triazin-2-amine
CID 104708820
4-ethoxy-6-(4-methylsulfanylphenoxy)-1,3,5-triazin-2-amine
CID 80879656
4-ethoxy-6-[(6-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 80872302
1-bromo-3-ethoxybenzene;ethane
CID 143900364
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80859995
2-chloro-4-ethoxy-6-(3-iodophenoxy)-1,3,5-triazine
CID 62859033

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine (CID 80869998) is 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(Oc2cccc(Br)c2)n1.
What is the InChIKey of 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is RTXRPMZDHUDHLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O2/c1-2-17-10-14-9(13)15-11(16-10)18-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine?
4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 311.14 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80869998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).