1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol

C12H17F2NO2 — CID 54937805

IUPAC1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
SMILESCCOCCNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2/c1-2-17-6-5-15-8-12(16)10-4-3-9(13)7-11(10)14/h3-4,7,12,15-16H,2,5-6,8H2,1H3
InChIKeyGONLYDVKWQKGQJ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.62
Rot. Bonds7

About 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol

1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol (PubChem CID 54937805) has the molecular formula C12H17F2NO2 and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
PubChem CID54937805
Molecular FormulaC12H17F2NO2
Molecular Weight245.27 g/mol
Exact Mass245.12
IUPAC Name1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
SMILESCCOCCNCC(O)c1ccc(F)cc1F
InChIInChI=1S/C12H17F2NO2/c1-2-17-6-5-15-8-12(16)10-4-3-9(13)7-11(10)14/h3-4,7,12,15-16H,2,5-6,8H2,1H3
InChIKeyGONLYDVKWQKGQJ-UHFFFAOYSA-N
XLogP1.62
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.62
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

1-(2,4-difluorophenyl)-3-ethoxypropan-1-ol
CID 115608674
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-1-methoxybutan-2-ol
CID 106246645
1-(2,4-difluorophenyl)-2-(2-ethylsulfonylethylamino)ethanol
CID 103710489
1-(2,4-difluorophenyl)-2-(2-methylpropylamino)ethanol
CID 60904159
1-(2,4-difluorophenyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]ethanol
CID 62842752
1-(2,4-difluorophenyl)-2-[(3-methyl-2-propan-2-ylbutyl)amino]ethanol
CID 102905470
3-[[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]methyl]pentan-3-ol
CID 65111103
3-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]propane-1,2-diol
CID 66170151
4-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]butanamide
CID 54937600
1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol
CID 82944241
N-[2-(2,4-difluorophenyl)sulfanylethyl]-2-ethoxyethanamine
CID 55092391
2-[[2-(2,4-difluorophenyl)-2-hydroxyethyl]amino]-N-ethylacetamide
CID 54938970

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol?
The IUPAC name of 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol (CID 54937805) is 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol is CCOCCNCC(O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol?
The InChIKey is GONLYDVKWQKGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2/c1-2-17-6-5-15-8-12(16)10-4-3-9(13)7-11(10)14/h3-4,7,12,15-16H,2,5-6,8H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol?
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol has a molecular weight of 245.27 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol is sourced from PubChem (CID 54937805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).