3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine

C13H20FNO2 — CID 60689845

IUPAC3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-2-16-10-5-8-15-9-11-17-13-7-4-3-6-12(13)14/h3-4,6-7,15H,2,5,8-11H2,1H3
InChIKeyVEOGSXYHRVEWND-UHFFFAOYSA-N
MW241.31 g/mol
LogP2.22
Rot. Bonds9

About 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine

3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine (PubChem CID 60689845) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
PubChem CID60689845
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
SMILESCCOCCCNCCOc1ccccc1F
InChIInChI=1S/C13H20FNO2/c1-2-16-10-5-8-15-9-11-17-13-7-4-3-6-12(13)14/h3-4,6-7,15H,2,5,8-11H2,1H3
InChIKeyVEOGSXYHRVEWND-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)ethyl]butan-1-amine
CID 2262293
N-[3-(2-fluorophenoxy)propyl]butan-1-amine
CID 2251064
N-[2-(2-fluorophenoxy)ethyl]propan-1-amine
CID 28879092
3-ethoxy-N-[2-(2-methylphenoxy)ethyl]propan-1-amine
CID 55024091
N-[2-(2,4-difluorophenoxy)ethyl]-4-ethoxybutan-1-amine
CID 62571632
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
4-(2-fluorophenoxy)-N-propylbutan-1-amine
CID 62452469
3-ethoxy-N-[2-(2-fluoro-5-methylphenoxy)ethyl]propan-1-amine
CID 64854707
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
3-ethoxy-N-(2-quinolin-8-yloxyethyl)propan-1-amine
CID 62598028
N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
2-butoxy-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine
CID 55088257

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine (CID 60689845) is 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine is CCOCCCNCCOc1ccccc1F.
What is the InChIKey of 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine?
The InChIKey is VEOGSXYHRVEWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-2-16-10-5-8-15-9-11-17-13-7-4-3-6-12(13)14/h3-4,6-7,15H,2,5,8-11H2,1H3.
What are the key properties of 3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine?
3-ethoxy-N-[2-(2-fluorophenoxy)ethyl]propan-1-amine has a molecular weight of 241.31 g/mol, XLogP of 2.22, 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-fluorophenoxy)ethyl]propan-1-amine is sourced from PubChem (CID 60689845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).