3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine

C13H17F4NO2 — CID 103290316

IUPAC3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H17F4NO2/c1-2-19-6-3-4-18-5-7-20-13-11(16)9(14)8-10(15)12(13)17/h8,18H,2-7H2,1H3
InChIKeyBDJRSHBDYDUMKV-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.64
Rot. Bonds9

About 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine

3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine (PubChem CID 103290316) has the molecular formula C13H17F4NO2 and a molecular weight of 295.28 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
PubChem CID103290316
Molecular FormulaC13H17F4NO2
Molecular Weight295.28 g/mol
Exact Mass295.12
IUPAC Name3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C13H17F4NO2/c1-2-19-6-3-4-18-5-7-20-13-11(16)9(14)8-10(15)12(13)17/h8,18H,2-7H2,1H3
InChIKeyBDJRSHBDYDUMKV-UHFFFAOYSA-N
XLogP2.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine (CID 103290316) is 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine is CCOCCCNCCOc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine?
The InChIKey is BDJRSHBDYDUMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO2/c1-2-19-6-3-4-18-5-7-20-13-11(16)9(14)8-10(15)12(13)17/h8,18H,2-7H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine?
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine has a molecular weight of 295.28 g/mol, XLogP of 2.64, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 103290316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).