2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol

C12H17F2NO2 — CID 62603880

IUPAC2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol
SMILESOCCOCCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO2/c13-11-7-10(8-12(14)9-11)1-2-15-3-5-17-6-4-16/h7-9,15-16H,1-6H2
InChIKeyZMGGDSQEWDAMHV-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.11
Rot. Bonds8

About 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol

2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol (PubChem CID 62603880) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol
PubChem CID62603880
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol
SMILESOCCOCCNCCc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO2/c13-11-7-10(8-12(14)9-11)1-2-15-3-5-17-6-4-16/h7-9,15-16H,1-6H2
InChIKeyZMGGDSQEWDAMHV-UHFFFAOYSA-N
XLogP1.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,5-difluorophenyl)ethylamino]ethanol
CID 62603879
5-[2-(3,5-difluorophenyl)ethylamino]pentan-1-ol
CID 62603706
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594890
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594464
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]ethanol
CID 123132110
N-[2-(3,5-difluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 64554825
3-[2-(3,5-difluorophenyl)ethylamino]propanamide
CID 62605689
N-[2-(3,5-difluorophenyl)ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 114525148
methyl 4-[2-(3,5-difluorophenyl)ethylamino]butanoate
CID 62615955
2-(2,2-difluoroethoxy)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 103081062
2-[2-[(2-chloro-4-fluorophenyl)methylamino]ethoxy]ethanol
CID 60689345
2-[2-[(3-fluoro-4-methylphenyl)methylamino]ethoxy]ethanol
CID 63646363

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol (CID 62603880) is 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol is OCCOCCNCCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol?
The InChIKey is ZMGGDSQEWDAMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c13-11-7-10(8-12(14)9-11)1-2-15-3-5-17-6-4-16/h7-9,15-16H,1-6H2.
What are the key properties of 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol?
2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol has a molecular weight of 245.27 g/mol, XLogP of 1.11, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(3,5-difluorophenyl)ethylamino]ethoxy]ethanol is sourced from PubChem (CID 62603880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).