1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol

C13H20FNO4 — CID 60632924

IUPAC1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
SMILESOCCOCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C13H20FNO4/c14-11-1-3-13(4-2-11)19-10-12(17)9-15-5-7-18-8-6-16/h1-4,12,15-17H,5-10H2
InChIKeyZHTGEIYXBCYMSG-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.16
Rot. Bonds10

About 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol

1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol (PubChem CID 60632924) has the molecular formula C13H20FNO4 and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
PubChem CID60632924
Molecular FormulaC13H20FNO4
Molecular Weight273.30 g/mol
Exact Mass273.14
IUPAC Name1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
SMILESOCCOCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C13H20FNO4/c14-11-1-3-13(4-2-11)19-10-12(17)9-15-5-7-18-8-6-16/h1-4,12,15-17H,5-10H2
InChIKeyZHTGEIYXBCYMSG-UHFFFAOYSA-N
XLogP0.16
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
(2R)-1-(2-tert-butyl-4-methoxyphenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 7998304
4-[2-hydroxy-3-(2-hydroxyethylamino)propoxy]phenol
CID 11481559
2-[2-[2-(4-fluorophenoxy)ethoxy]ethylamino]ethanol
CID 2280472
N-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]methanesulfonamide
CID 60909620
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
1-(4-bromophenoxy)-3-(2-ethoxyethylamino)propan-2-ol
CID 54938591
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol (CID 60632924) is 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol is OCCOCCNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
The InChIKey is ZHTGEIYXBCYMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4/c14-11-1-3-13(4-2-11)19-10-12(17)9-15-5-7-18-8-6-16/h1-4,12,15-17H,5-10H2.
What are the key properties of 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol?
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol has a molecular weight of 273.30 g/mol, XLogP of 0.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 60632924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).