2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine

C13H21FN2O2 — CID 169246594

IUPAC2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine
SMILESCOc1cc(CCCCF)c(OC)nc1CCN
InChIInChI=1S/C13H21FN2O2/c1-17-12-9-10(5-3-4-7-14)13(18-2)16-11(12)6-8-15/h9H,3-8,15H2,1-2H3
InChIKeyPEBUHQADUHHRDZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.89
Rot. Bonds8

About 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine

2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine (PubChem CID 169246594) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine
PubChem CID169246594
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine
SMILESCOc1cc(CCCCF)c(OC)nc1CCN
InChIInChI=1S/C13H21FN2O2/c1-17-12-9-10(5-3-4-7-14)13(18-2)16-11(12)6-8-15/h9H,3-8,15H2,1-2H3
InChIKeyPEBUHQADUHHRDZ-UHFFFAOYSA-N
XLogP1.89
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine?
The IUPAC name of 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine (CID 169246594) is 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine is COc1cc(CCCCF)c(OC)nc1CCN.
What is the InChIKey of 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine?
The InChIKey is PEBUHQADUHHRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c1-17-12-9-10(5-3-4-7-14)13(18-2)16-11(12)6-8-15/h9H,3-8,15H2,1-2H3.
What are the key properties of 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine?
2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine has a molecular weight of 256.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorobutyl)-3,6-dimethoxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 169246594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).