1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol

C15H15F2NO2 — CID 64821682

IUPAC1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol
SMILESNCC(O)(COc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H15F2NO2/c16-12-6-7-13(17)14(8-12)20-10-15(19,9-18)11-4-2-1-3-5-11/h1-8,19H,9-10,18H2
InChIKeyISHGPVGHAUWWES-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.19
Rot. Bonds5

About 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol

1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol (PubChem CID 64821682) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol
PubChem CID64821682
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol
SMILESNCC(O)(COc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C15H15F2NO2/c16-12-6-7-13(17)14(8-12)20-10-15(19,9-18)11-4-2-1-3-5-11/h1-8,19H,9-10,18H2
InChIKeyISHGPVGHAUWWES-UHFFFAOYSA-N
XLogP2.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol
CID 64814630
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile
CID 116692970
1-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2-phenylpropan-2-ol
CID 63367980
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
1-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2-phenylpropan-2-ol
CID 63366269
1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
CID 64812936
1-amino-3-(2,5-difluorophenoxy)propan-2-ol
CID 63269333
2-(2,5-difluorophenyl)-2-fluoro-2-phenylethanamine
CID 112566313
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
2-(2,5-difluorophenoxy)-1-(2-fluorophenyl)ethanone
CID 63269522
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol (CID 64821682) is 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol is NCC(O)(COc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol?
The InChIKey is ISHGPVGHAUWWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-12-6-7-13(17)14(8-12)20-10-15(19,9-18)11-4-2-1-3-5-11/h1-8,19H,9-10,18H2.
What are the key properties of 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol?
1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol has a molecular weight of 279.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol is sourced from PubChem (CID 64821682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).