1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol

C18H20F3NO2 — CID 110877386

IUPAC1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCC(NCC(O)COCc1ccccc1F)c1ccc(F)cc1F
InChIInChI=1S/C18H20F3NO2/c1-12(16-7-6-14(19)8-18(16)21)22-9-15(23)11-24-10-13-4-2-3-5-17(13)20/h2-8,12,15,22-23H,9-11H2,1H3
InChIKeyICKVZEDGGDZZFE-UHFFFAOYSA-N
MW339.36 g/mol
LogP3.33
Rot. Bonds8

About 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol

1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol (PubChem CID 110877386) has the molecular formula C18H20F3NO2 and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
PubChem CID110877386
Molecular FormulaC18H20F3NO2
Molecular Weight339.36 g/mol
Exact Mass339.14
IUPAC Name1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol
SMILESCC(NCC(O)COCc1ccccc1F)c1ccc(F)cc1F
InChIInChI=1S/C18H20F3NO2/c1-12(16-7-6-14(19)8-18(16)21)22-9-15(23)11-24-10-13-4-2-3-5-17(13)20/h2-8,12,15,22-23H,9-11H2,1H3
InChIKeyICKVZEDGGDZZFE-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81379953
(2S)-1-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082006
(2R)-1-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]propan-2-ol
CID 93082005
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
methyl 2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]acetate
CID 60649043
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530
3-[1-(2-fluorophenyl)ethylamino]propane-1,2-diol
CID 60632523
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673
1-[(2-fluorophenyl)methoxy]-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62642322

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The IUPAC name of 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol (CID 110877386) is 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol is CC(NCC(O)COCc1ccccc1F)c1ccc(F)cc1F.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
The InChIKey is ICKVZEDGGDZZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2/c1-12(16-7-6-14(19)8-18(16)21)22-9-15(23)11-24-10-13-4-2-3-5-17(13)20/h2-8,12,15,22-23H,9-11H2,1H3.
What are the key properties of 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol?
1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol has a molecular weight of 339.36 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)ethylamino]-3-[(2-fluorophenyl)methoxy]propan-2-ol is sourced from PubChem (CID 110877386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).