4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

C13H14BrFN4O2 — CID 83232385

IUPAC4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H14BrFN4O2/c1-3-6-16-11-17-12(20-2)19-13(18-11)21-8-4-5-10(15)9(14)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyJGECFKOFKCPNRC-UHFFFAOYSA-N
MW357.18 g/mol
LogP3.40
Rot. Bonds6

About 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine

4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 83232385) has the molecular formula C13H14BrFN4O2 and a molecular weight of 357.18 g/mol. Its IUPAC name is 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID83232385
Molecular FormulaC13H14BrFN4O2
Molecular Weight357.18 g/mol
Exact Mass356.03
IUPAC Name4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Oc2ccc(F)c(Br)c2)n1
InChIInChI=1S/C13H14BrFN4O2/c1-3-6-16-11-17-12(20-2)19-13(18-11)21-8-4-5-10(15)9(14)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19)
InChIKeyJGECFKOFKCPNRC-UHFFFAOYSA-N
XLogP3.40
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

2-(3-Bromophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 62862461
2-N-[1-(3-bromo-5-fluorophenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 141949527
4-(4-bromo-2-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 55124710
2-(2-Bromo-4-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 62859795
2-(2-Bromo-4-fluorophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62869621
4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62869791
4-(2-bromo-4-fluorophenoxy)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 62869792
2-(4-Bromo-2-fluorophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 62870331
4-(4-bromo-2-fluorophenoxy)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870332
2-(4-Bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 65203279
2-(4-Bromo-3-fluorophenoxy)-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 65203496
4-(4-bromo-3-fluorophenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65203549

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 83232385) is 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(Oc2ccc(F)c(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is JGECFKOFKCPNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O2/c1-3-6-16-11-17-12(20-2)19-13(18-11)21-8-4-5-10(15)9(14)7-8/h4-5,7H,3,6H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 357.18 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83232385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).