1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol

C15H24FNO4 — CID 103603634

IUPAC1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
SMILESCOCCOCCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H24FNO4/c1-19-9-10-20-8-2-7-17-11-14(18)12-21-15-5-3-13(16)4-6-15/h3-6,14,17-18H,2,7-12H2,1H3
InChIKeyWLVMHDZGJIXDHL-UHFFFAOYSA-N
MW301.36 g/mol
LogP1.21
Rot. Bonds12

About 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol

1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol (PubChem CID 103603634) has the molecular formula C15H24FNO4 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
PubChem CID103603634
Molecular FormulaC15H24FNO4
Molecular Weight301.36 g/mol
Exact Mass301.17
IUPAC Name1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
SMILESCOCCOCCCNCC(O)COc1ccc(F)cc1
InChIInChI=1S/C15H24FNO4/c1-19-9-10-20-8-2-7-17-11-14(18)12-21-15-5-3-13(16)4-6-15/h3-6,14,17-18H,2,7-12H2,1H3
InChIKeyWLVMHDZGJIXDHL-UHFFFAOYSA-N
XLogP1.21
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924
1-(2-methoxyethoxy)-3-(3-phenoxypropylamino)propan-2-ol
CID 106989841
6-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]hexan-1-ol
CID 107851729
1-(4-fluorophenoxy)-3-(5,5,5-trifluoropentylamino)propan-2-ol
CID 115519141
methyl 2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904479
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 113317787
3-[2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]amino]ethyl]-1,1-dimethylurea
CID 83113487
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
CID 115475945
1-(2-aminoethylamino)-3-[4-(2-propoxyethoxy)phenoxy]propan-2-ol
CID 23349125

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol?
The IUPAC name of 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol (CID 103603634) is 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol.
What is the SMILES notation for 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol?
The canonical SMILES for 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol is COCCOCCCNCC(O)COc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol?
The InChIKey is WLVMHDZGJIXDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO4/c1-19-9-10-20-8-2-7-17-11-14(18)12-21-15-5-3-13(16)4-6-15/h3-6,14,17-18H,2,7-12H2,1H3.
What are the key properties of 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol?
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol has a molecular weight of 301.36 g/mol, XLogP of 1.21, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol is sourced from PubChem (CID 103603634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).