1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol

C12H17F2NO3 — CID 113317787

IUPAC1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)COc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO3/c1-17-3-2-15-7-11(16)8-18-12-5-9(13)4-10(14)6-12/h4-6,11,15-16H,2-3,7-8H2,1H3
InChIKeyKPAPBUXVLNFTCL-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.94
Rot. Bonds8

About 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol

1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 113317787) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID113317787
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)COc1cc(F)cc(F)c1
InChIInChI=1S/C12H17F2NO3/c1-17-3-2-15-7-11(16)8-18-12-5-9(13)4-10(14)6-12/h4-6,11,15-16H,2-3,7-8H2,1H3
InChIKeyKPAPBUXVLNFTCL-UHFFFAOYSA-N
XLogP0.94
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
CID 115475945
1-(2,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60632864
1-fluoro-3-(2-methoxyethylamino)propan-2-ol
CID 131182194
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-(4-chloro-3-methylphenoxy)-3-(3-methoxypropylamino)propan-2-ol
CID 60633816
1-bromo-3-(3,5-difluorophenoxy)propan-2-ol
CID 112560779
1-(2-methoxyethylamino)-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol
CID 60904146
1-(4-fluorophenoxy)-3-[2-(2-hydroxyethoxy)ethylamino]propan-2-ol
CID 60632924

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol (CID 113317787) is 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)COc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is KPAPBUXVLNFTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c1-17-3-2-15-7-11(16)8-18-12-5-9(13)4-10(14)6-12/h4-6,11,15-16H,2-3,7-8H2,1H3.
What are the key properties of 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol?
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 261.27 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 113317787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).