2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine

C13H19F2NO2 — CID 79888054

IUPAC2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine
SMILESCCOCCCOc1c(F)cc(CCN)cc1F
InChIInChI=1S/C13H19F2NO2/c1-2-17-6-3-7-18-13-11(14)8-10(4-5-16)9-12(13)15/h8-9H,2-7,16H2,1H3
InChIKeyNLFLBCSCRPGXOB-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.27
Rot. Bonds8

About 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine

2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine (PubChem CID 79888054) has the molecular formula C13H19F2NO2 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine
PubChem CID79888054
Molecular FormulaC13H19F2NO2
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine
SMILESCCOCCCOc1c(F)cc(CCN)cc1F
InChIInChI=1S/C13H19F2NO2/c1-2-17-6-3-7-18-13-11(14)8-10(4-5-16)9-12(13)15/h8-9H,2-7,16H2,1H3
InChIKeyNLFLBCSCRPGXOB-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.27
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

2-[3,5-difluoro-4-(2-fluoroethoxy)phenyl]ethanamine
CID 80694644
2-[3-bromo-4-(3-ethoxypropoxy)-5-methoxyphenyl]ethanamine
CID 65180503
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
2-[3-bromo-5-ethoxy-4-(2-ethoxyethoxy)phenyl]ethanamine
CID 60906399
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
[3,5-difluoro-4-(4-methoxybutoxy)phenyl]methanamine
CID 104647126
2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 79887676
2-[3-fluoro-5-[3-(2-methoxyethoxy)propoxy]phenyl]ethanamine
CID 103411599
4-(chloromethyl)-1-(3-ethoxypropoxy)-2-fluorobenzene
CID 107691448
2-[2-(3,5-difluoro-4-propoxyphenyl)ethyl]-5-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1,3-difluorobenzene
CID 139758585
[3,5-difluoro-4-(4-methylpentoxy)phenyl]methanamine
CID 81294772
ethyl 2-(4-butoxy-3,5-difluorophenyl)acetate
CID 70827899

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine (CID 79888054) is 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine is CCOCCCOc1c(F)cc(CCN)cc1F.
What is the InChIKey of 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine?
The InChIKey is NLFLBCSCRPGXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2/c1-2-17-6-3-7-18-13-11(14)8-10(4-5-16)9-12(13)15/h8-9H,2-7,16H2,1H3.
What are the key properties of 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine?
2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine has a molecular weight of 259.30 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethoxypropoxy)-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 79888054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).