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

C13H14ClFN4O2 — CID 116691277

IUPAC4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H14ClFN4O2/c1-3-7-16-11-17-12(20-2)19-13(18-11)21-9-6-4-5-8(14)10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17,18,19)
InChIKeyBIHZBXPTEKBPQC-UHFFFAOYSA-N
MW312.73 g/mol
LogP3.29
Rot. Bonds6

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

4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 116691277) has the molecular formula C13H14ClFN4O2 and a molecular weight of 312.73 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID116691277
Molecular FormulaC13H14ClFN4O2
Molecular Weight312.73 g/mol
Exact Mass312.08
IUPAC Name4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(OC)nc(Oc2cccc(Cl)c2F)n1
InChIInChI=1S/C13H14ClFN4O2/c1-3-7-16-11-17-12(20-2)19-13(18-11)21-9-6-4-5-8(14)10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17,18,19)
InChIKeyBIHZBXPTEKBPQC-UHFFFAOYSA-N
XLogP3.29
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-(3-chloro-2-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 116691319
4-(3-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80869841
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
6-(3-chloro-2-fluorophenoxy)-N-propylpyrazin-2-amine
CID 116691218
4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879645
4-(3-bromo-4-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 83232385
4-[(3-chlorophenyl)methoxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80871605
4-(3-chloro-4-fluorophenyl)-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 115504576
4-[(5-chloro-3-pyridinyl)oxy]-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878172
2-N-(4-chloro-2-fluorophenyl)-6-methoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80781316
2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116689913
4-(3-chlorophenyl)sulfanyl-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80892069

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine (CID 116691277) is 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(OC)nc(Oc2cccc(Cl)c2F)n1.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is BIHZBXPTEKBPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN4O2/c1-3-7-16-11-17-12(20-2)19-13(18-11)21-9-6-4-5-8(14)10(9)15/h4-6H,3,7H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine?
4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 312.73 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)-6-methoxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 116691277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).