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

C14H23FN2O2 — CID 169246555

IUPAC2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine
SMILESCOc1cc(CCCCCF)c(OC)nc1CCN
InChIInChI=1S/C14H23FN2O2/c1-18-13-10-11(6-4-3-5-8-15)14(19-2)17-12(13)7-9-16/h10H,3-9,16H2,1-2H3
InChIKeyLIIZWFBZGIMIKV-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.28
Rot. Bonds9

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

2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine (PubChem CID 169246555) has the molecular formula C14H23FN2O2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine
PubChem CID169246555
Molecular FormulaC14H23FN2O2
Molecular Weight270.35 g/mol
Exact Mass270.17
IUPAC Name2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine
SMILESCOc1cc(CCCCCF)c(OC)nc1CCN
InChIInChI=1S/C14H23FN2O2/c1-18-13-10-11(6-4-3-5-8-15)14(19-2)17-12(13)7-9-16/h10H,3-9,16H2,1-2H3
InChIKeyLIIZWFBZGIMIKV-UHFFFAOYSA-N
XLogP2.28
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.28
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-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine?
The IUPAC name of 2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine (CID 169246555) is 2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine is COc1cc(CCCCCF)c(OC)nc1CCN.
What is the InChIKey of 2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine?
The InChIKey is LIIZWFBZGIMIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FN2O2/c1-18-13-10-11(6-4-3-5-8-15)14(19-2)17-12(13)7-9-16/h10H,3-9,16H2,1-2H3.
What are the key properties of 2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine?
2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine has a molecular weight of 270.35 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoropentyl)-3,6-dimethoxy-2-pyridinyl]ethanamine is sourced from PubChem (CID 169246555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).