1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol

C20H23F2NO2 — CID 109395452

IUPAC1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol
SMILESOC(CNC(CC1CCOC1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2NO2/c21-17-7-6-16(11-18(17)22)20(24)12-23-19(10-14-8-9-25-13-14)15-4-2-1-3-5-15/h1-7,11,14,19-20,23-24H,8-10,12-13H2
InChIKeyVYJNIHGGEMMAKV-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.76
Rot. Bonds7

About 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol

1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol (PubChem CID 109395452) has the molecular formula C20H23F2NO2 and a molecular weight of 347.41 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol
PubChem CID109395452
Molecular FormulaC20H23F2NO2
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Name1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol
SMILESOC(CNC(CC1CCOC1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2NO2/c21-17-7-6-16(11-18(17)22)20(24)12-23-19(10-14-8-9-25-13-14)15-4-2-1-3-5-15/h1-7,11,14,19-20,23-24H,8-10,12-13H2
InChIKeyVYJNIHGGEMMAKV-UHFFFAOYSA-N
XLogP3.76
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-difluorophenyl)-2-[1-(oxan-4-yl)ethylamino]ethanol
CID 103776795
(1R)-2-[(3R)-oxolan-3-yl]-1-phenyl-N-(pyridin-2-ylmethyl)ethanamine
CID 97241292
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
[2-(oxolan-3-yl)-1-(4-phenylphenyl)ethyl]hydrazine
CID 105265974
[1-(3-fluoro-4-methylphenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 107130877
2-fluoro-6-[[2-(oxolan-3-yl)-1-phenylethyl]amino]benzonitrile
CID 133413488
1-naphthalen-2-yl-2-(oxolan-3-yl)ethanol
CID 113362057
[1-(3-fluorophenyl)-2-(oxolan-3-yl)ethyl]hydrazine
CID 105266099
1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986373
1-(4-fluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986410
N-ethyl-1-naphthalen-2-yl-2-(oxolan-3-yl)ethanamine
CID 103987345
1-(2,6-difluorophenyl)-2-(oxolan-3-yl)ethanol
CID 103986582

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol (CID 109395452) is 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol is OC(CNC(CC1CCOC1)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol?
The InChIKey is VYJNIHGGEMMAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2/c21-17-7-6-16(11-18(17)22)20(24)12-23-19(10-14-8-9-25-13-14)15-4-2-1-3-5-15/h1-7,11,14,19-20,23-24H,8-10,12-13H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol?
1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol has a molecular weight of 347.41 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[[2-(oxolan-3-yl)-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 109395452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).