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

C15H15F2NO2 — CID 64809115

IUPAC2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol
SMILESNC(CO)(COc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C15H15F2NO2/c16-12-7-4-8-13(14(12)17)20-10-15(18,9-19)11-5-2-1-3-6-11/h1-8,19H,9-10,18H2
InChIKeyRYKHNJJHOQXZME-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.19
Rot. Bonds5

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

2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol (PubChem CID 64809115) has the molecular formula C15H15F2NO2 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol
PubChem CID64809115
Molecular FormulaC15H15F2NO2
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol
SMILESNC(CO)(COc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C15H15F2NO2/c16-12-7-4-8-13(14(12)17)20-10-15(18,9-19)11-5-2-1-3-6-11/h1-8,19H,9-10,18H2
InChIKeyRYKHNJJHOQXZME-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol?
The IUPAC name of 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol (CID 64809115) is 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol.
What is the SMILES notation for 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol?
The canonical SMILES for 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol is NC(CO)(COc1cccc(F)c1F)c1ccccc1.
What is the InChIKey of 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol?
The InChIKey is RYKHNJJHOQXZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO2/c16-12-7-4-8-13(14(12)17)20-10-15(18,9-19)11-5-2-1-3-6-11/h1-8,19H,9-10,18H2.
What are the key properties of 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol?
2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-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 2-amino-3-(2,3-difluorophenoxy)-2-phenylpropan-1-ol is sourced from PubChem (CID 64809115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).