4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

C13H14ClFN4O — CID 62863481

IUPAC4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C13H14ClFN4O/c1-3-7-20-13-17-11(14)16-12(18-13)19(2)10-6-4-5-9(15)8-10/h4-6,8H,3,7H2,1-2H3
InChIKeyFNNCAIDMKBTBSO-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.22
Rot. Bonds5

About 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine

4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 62863481) has the molecular formula C13H14ClFN4O and a molecular weight of 296.73 g/mol. Its IUPAC name is 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
PubChem CID62863481
Molecular FormulaC13H14ClFN4O
Molecular Weight296.73 g/mol
Exact Mass296.08
IUPAC Name4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(N(C)c2cccc(F)c2)n1
InChIInChI=1S/C13H14ClFN4O/c1-3-7-20-13-17-11(14)16-12(18-13)19(2)10-6-4-5-9(15)8-10/h4-6,8H,3,7H2,1-2H3
InChIKeyFNNCAIDMKBTBSO-UHFFFAOYSA-N
XLogP3.22
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine (CID 62863481) is 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(N(C)c2cccc(F)c2)n1.
What is the InChIKey of 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is FNNCAIDMKBTBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O/c1-3-7-20-13-17-11(14)16-12(18-13)19(2)10-6-4-5-9(15)8-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine?
4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 296.73 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-fluorophenyl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).