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

C14H17BrN4O2 — CID 80866586

IUPAC4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN4O2/c1-3-9-16-12-17-13(20-4-2)19-14(18-12)21-11-7-5-10(15)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19)
InChIKeyHDJVZDFZLQEMGH-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.65
Rot. Bonds7

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

4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80866586) has the molecular formula C14H17BrN4O2 and a molecular weight of 353.22 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID80866586
Molecular FormulaC14H17BrN4O2
Molecular Weight353.22 g/mol
Exact Mass352.05
IUPAC Name4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(Oc2ccc(Br)cc2)n1
InChIInChI=1S/C14H17BrN4O2/c1-3-9-16-12-17-13(20-4-2)19-14(18-12)21-11-7-5-10(15)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19)
InChIKeyHDJVZDFZLQEMGH-UHFFFAOYSA-N
XLogP3.65
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-6-(4-fluorophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865729
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-ethoxy-N-ethyl-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80863510
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385
4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80882090
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-(3-bromophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80887365
4-(3-bromo-5-fluorophenoxy)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 81314804
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (CID 80866586) is 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(Oc2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is HDJVZDFZLQEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O2/c1-3-9-16-12-17-13(20-4-2)19-14(18-12)21-11-7-5-10(15)6-8-11/h5-8H,3-4,9H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 353.22 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80866586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).