(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol

C21H22FNOS — CID 10570189

IUPAC(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol
SMILESC[C@@](Cc1ccccc1F)(N[C@H](CO)c1ccccc1)c1cccs1
InChIInChI=1S/C21H22FNOS/c1-21(20-12-7-13-25-20,14-17-10-5-6-11-18(17)22)23-19(15-24)16-8-3-2-4-9-16/h2-13,19,23-24H,14-15H2,1H3/t19-,21+/m1/s1
InChIKeyOBAGSRMTEVNYJW-CTNGQTDRSA-N
MW355.48 g/mol
LogP4.67
Rot. Bonds7

About (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol

(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol (PubChem CID 10570189) has the molecular formula C21H22FNOS and a molecular weight of 355.48 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol
PubChem CID10570189
Molecular FormulaC21H22FNOS
Molecular Weight355.48 g/mol
Exact Mass355.14
IUPAC Name(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol
SMILESC[C@@](Cc1ccccc1F)(N[C@H](CO)c1ccccc1)c1cccs1
InChIInChI=1S/C21H22FNOS/c1-21(20-12-7-13-25-20,14-17-10-5-6-11-18(17)22)23-19(15-24)16-8-3-2-4-9-16/h2-13,19,23-24H,14-15H2,1H3/t19-,21+/m1/s1
InChIKeyOBAGSRMTEVNYJW-CTNGQTDRSA-N
XLogP4.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol (CID 10570189) is (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol is C[C@@](Cc1ccccc1F)(N[C@H](CO)c1ccccc1)c1cccs1.
What is the InChIKey of (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol?
The InChIKey is OBAGSRMTEVNYJW-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H22FNOS/c1-21(20-12-7-13-25-20,14-17-10-5-6-11-18(17)22)23-19(15-24)16-8-3-2-4-9-16/h2-13,19,23-24H,14-15H2,1H3/t19-,21+/m1/s1.
What are the key properties of (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol?
(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol has a molecular weight of 355.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-thiophen-2-ylpropan-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 10570189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).