1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol

C14H21F2NO2 — CID 82944241

IUPAC1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol
SMILESCCCOCCCNCC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO2/c1-2-7-19-8-3-6-17-10-14(18)12-9-11(15)4-5-13(12)16/h4-5,9,14,17-18H,2-3,6-8,10H2,1H3
InChIKeyZGAHRWUZCABSTJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.40
Rot. Bonds9

About 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol

1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol (PubChem CID 82944241) has the molecular formula C14H21F2NO2 and a molecular weight of 273.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol
PubChem CID82944241
Molecular FormulaC14H21F2NO2
Molecular Weight273.32 g/mol
Exact Mass273.15
IUPAC Name1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol
SMILESCCCOCCCNCC(O)c1cc(F)ccc1F
InChIInChI=1S/C14H21F2NO2/c1-2-7-19-8-3-6-17-10-14(18)12-9-11(15)4-5-13(12)16/h4-5,9,14,17-18H,2-3,6-8,10H2,1H3
InChIKeyZGAHRWUZCABSTJ-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.40
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-(2,5-difluorophenyl)-2-(4-methylpentylamino)ethanol
CID 54893307
1-(2,5-difluorophenyl)-2-(3-methylsulfonylpropylamino)ethanol
CID 54905559
6-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]hexanoic acid
CID 82316123
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
1-(2,5-dimethoxyphenyl)-2-(3-propoxypropylamino)ethanol
CID 82941941
1-(2,4-difluorophenyl)-2-(2-ethoxyethylamino)ethanol
CID 54937805
1-[[2-(2,5-difluorophenyl)-2-hydroxyethyl]amino]-3-ethylpentan-2-ol
CID 106285464
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
1-(2,5-difluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]ethanol
CID 60908570
2-(2-butoxyethylamino)-1-(2,6-difluorophenyl)ethanol
CID 61171635
1-[(4-chlorophenyl)methoxy]-3-(3-propoxypropylamino)propan-2-ol
CID 82942338
2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
CID 82801499

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol (CID 82944241) is 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol is CCCOCCCNCC(O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol?
The InChIKey is ZGAHRWUZCABSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO2/c1-2-7-19-8-3-6-17-10-14(18)12-9-11(15)4-5-13(12)16/h4-5,9,14,17-18H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol?
1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol has a molecular weight of 273.32 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(3-propoxypropylamino)ethanol is sourced from PubChem (CID 82944241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).