1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol

C11H15F2NO2 — CID 63038505

IUPAC1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1cccc(F)c1F
InChIInChI=1S/C11H15F2NO2/c1-2-14-6-8(15)7-16-10-5-3-4-9(12)11(10)13/h3-5,8,14-15H,2,6-7H2,1H3
InChIKeyDWUDFCBLICDZTO-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.31
Rot. Bonds6

About 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol

1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol (PubChem CID 63038505) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
PubChem CID63038505
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)COc1cccc(F)c1F
InChIInChI=1S/C11H15F2NO2/c1-2-14-6-8(15)7-16-10-5-3-4-9(12)11(10)13/h3-5,8,14-15H,2,6-7H2,1H3
InChIKeyDWUDFCBLICDZTO-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butylamino)-3-(2,3-difluorophenoxy)propan-2-ol
CID 115476114
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
1-(2-fluoro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 107657511
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 62338062
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
(2R)-1-(2,3-difluorophenoxy)-3-[[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]amino]propan-2-ol
CID 53471614
1-(2,2-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 103461242
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
methyl 2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]acetate
CID 60904476
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
2-(2,3-difluorophenoxy)-1-(4-propylphenyl)ethanol
CID 63037145

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol (CID 63038505) is 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol is CCNCC(O)COc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol?
The InChIKey is DWUDFCBLICDZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-2-14-6-8(15)7-16-10-5-3-4-9(12)11(10)13/h3-5,8,14-15H,2,6-7H2,1H3.
What are the key properties of 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol?
1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol has a molecular weight of 231.24 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenoxy)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 63038505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).