1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol

C16H17F2NO — CID 78953069

IUPAC1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-11(12-6-3-2-4-7-12)19-10-15(20)16-13(17)8-5-9-14(16)18/h2-9,11,15,19-20H,10H2,1H3/t11-,15?/m1/s1
InChIKeySEBFHYIEQOSEGL-ZRKZCGFPSA-N
MW277.31 g/mol
LogP3.35
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol

1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol (PubChem CID 78953069) has the molecular formula C16H17F2NO and a molecular weight of 277.31 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
PubChem CID78953069
Molecular FormulaC16H17F2NO
Molecular Weight277.31 g/mol
Exact Mass277.13
IUPAC Name1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
SMILESC[C@@H](NCC(O)c1c(F)cccc1F)c1ccccc1
InChIInChI=1S/C16H17F2NO/c1-11(12-6-3-2-4-7-12)19-10-15(20)16-13(17)8-5-9-14(16)18/h2-9,11,15,19-20H,10H2,1H3/t11-,15?/m1/s1
InChIKeySEBFHYIEQOSEGL-ZRKZCGFPSA-N
XLogP3.35
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol with MolForge

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Related Compounds

2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-(2,6-difluorophenyl)ethanol
CID 81356349
1-(2,6-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]ethanol
CID 60979791
1-phenyl-2-(1-phenylethylamino)ethanol
CID 4665183
(1S)-1-phenyl-2-(1-phenylethylamino)ethanol
CID 70464051
(1S)-1-(4-fluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 15983832
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
1-(2,4-difluorophenyl)-2-(1-phenylethylamino)ethanol
CID 60766380
1-(4-chlorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol
CID 78953095
1-(2-fluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60744888
1,3-bis[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 15470316
1,4-bis(1-phenylethylamino)butane-2,3-diol
CID 20833353
1-phenyl-2-[1-(4-propan-2-ylphenyl)ethylamino]ethanol
CID 43388825

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol (CID 78953069) is 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol is C[C@@H](NCC(O)c1c(F)cccc1F)c1ccccc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol?
The InChIKey is SEBFHYIEQOSEGL-ZRKZCGFPSA-N. The full InChI is InChI=1S/C16H17F2NO/c1-11(12-6-3-2-4-7-12)19-10-15(20)16-13(17)8-5-9-14(16)18/h2-9,11,15,19-20H,10H2,1H3/t11-,15?/m1/s1.
What are the key properties of 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol?
1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol has a molecular weight of 277.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[[(1R)-1-phenylethyl]amino]ethanol is sourced from PubChem (CID 78953069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).