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

C14H16ClFN4O — CID 115505060

IUPAC4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H16ClFN4O/c1-3-7-17-13-18-12(19-14(20-13)21-4-2)10-6-5-9(16)8-11(10)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,19,20)
InChIKeyLKKHHOGCJBIWOQ-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.55
Rot. Bonds6

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

4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 115505060) has the molecular formula C14H16ClFN4O and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID115505060
Molecular FormulaC14H16ClFN4O
Molecular Weight310.76 g/mol
Exact Mass310.10
IUPAC Name4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OCC)nc(-c2ccc(F)cc2Cl)n1
InChIInChI=1S/C14H16ClFN4O/c1-3-7-17-13-18-12(19-14(20-13)21-4-2)10-6-5-9(16)8-11(10)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,19,20)
InChIKeyLKKHHOGCJBIWOQ-UHFFFAOYSA-N
XLogP3.55
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-6-(3-fluoro-5-methylphenyl)-N-propyl-1,3,5-triazin-2-amine
CID 79691232
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
2-N-(2-chloro-4-fluorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80756826
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-(4-bromo-3-chloro-2-fluorophenyl)-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 106763667
4-ethoxy-N-ethyl-6-(2,4,5-trifluorophenyl)-1,3,5-triazin-2-amine
CID 115503285
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
4-(5-bromo-2-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 79743156
4-(2-chlorophenyl)sulfanyl-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80872051
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62858893
4-(2-chloro-5-fluorophenyl)-5-methyl-N-propylpyrimidin-2-amine
CID 105396175

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine (CID 115505060) is 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OCC)nc(-c2ccc(F)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is LKKHHOGCJBIWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4O/c1-3-7-17-13-18-12(19-14(20-13)21-4-2)10-6-5-9(16)8-11(10)15/h5-6,8H,3-4,7H2,1-2H3,(H,17,18,19,20).
What are the key properties of 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine?
4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 310.76 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluorophenyl)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115505060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).