4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine

C13H15FN4 — CID 67455405

IUPAC4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
SMILESCC(c1ccc(F)cc1)c1cc(N)nc(N)c1N
InChIInChI=1S/C13H15FN4/c1-7(8-2-4-9(14)5-3-8)10-6-11(15)18-13(17)12(10)16/h2-7H,16H2,1H3,(H4,15,17,18)
InChIKeyMMYYJDNTADHHPE-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.12
Rot. Bonds2

About 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine

4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine (PubChem CID 67455405) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
PubChem CID67455405
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine
SMILESCC(c1ccc(F)cc1)c1cc(N)nc(N)c1N
InChIInChI=1S/C13H15FN4/c1-7(8-2-4-9(14)5-3-8)10-6-11(15)18-13(17)12(10)16/h2-7H,16H2,1H3,(H4,15,17,18)
InChIKeyMMYYJDNTADHHPE-UHFFFAOYSA-N
XLogP2.12
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The IUPAC name of 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine (CID 67455405) is 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The canonical SMILES for 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine is CC(c1ccc(F)cc1)c1cc(N)nc(N)c1N.
What is the InChIKey of 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
The InChIKey is MMYYJDNTADHHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-7(8-2-4-9(14)5-3-8)10-6-11(15)18-13(17)12(10)16/h2-7H,16H2,1H3,(H4,15,17,18).
What are the key properties of 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine?
4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine has a molecular weight of 246.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)ethyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 67455405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).