(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol

C23H25FN2O — CID 10522804

IUPAC(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol
SMILESCC[C@@](Cc1ccccc1F)(N[C@H](CO)c1ccccc1)c1ccccn1
InChIInChI=1S/C23H25FN2O/c1-2-23(22-14-8-9-15-25-22,16-19-12-6-7-13-20(19)24)26-21(17-27)18-10-4-3-5-11-18/h3-15,21,26-27H,2,16-17H2,1H3/t21-,23+/m1/s1
InChIKeyZBDOKDQJCZUQBR-GGAORHGYSA-N
MW364.46 g/mol
LogP4.39
Rot. Bonds8

About (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol

(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol (PubChem CID 10522804) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol
PubChem CID10522804
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol
SMILESCC[C@@](Cc1ccccc1F)(N[C@H](CO)c1ccccc1)c1ccccn1
InChIInChI=1S/C23H25FN2O/c1-2-23(22-14-8-9-15-25-22,16-19-12-6-7-13-20(19)24)26-21(17-27)18-10-4-3-5-11-18/h3-15,21,26-27H,2,16-17H2,1H3/t21-,23+/m1/s1
InChIKeyZBDOKDQJCZUQBR-GGAORHGYSA-N
XLogP4.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylpropan-2-amine
CID 10657092
2-[2-(2-fluorophenyl)ethylamino]-2-phenylethanol
CID 110012007
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
(2S)-2-[1-(2-fluorophenyl)propylamino]-2-phenylethanol
CID 103948350
3-ethyl-3-pyridin-2-ylpentan-1-amine
CID 83818225
2-(1,1-difluoropropyl)pyridine
CID 59088790
3-methyl-3-pyridin-2-ylpentan-1-ol
CID 144773779
1-[2-(2-fluorophenyl)ethyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 110895025
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
N-ethyl-3-(2-fluorophenyl)-1-phenylpropan-1-amine
CID 54891295
2-(2-fluoroanilino)-2-pyridin-2-ylpropan-1-ol
CID 61050104
1-pyridin-2-ylpropane-1,1-diol
CID 18373059

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol (CID 10522804) is (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol is CC[C@@](Cc1ccccc1F)(N[C@H](CO)c1ccccc1)c1ccccn1.
What is the InChIKey of (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol?
The InChIKey is ZBDOKDQJCZUQBR-GGAORHGYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-2-23(22-14-8-9-15-25-22,16-19-12-6-7-13-20(19)24)26-21(17-27)18-10-4-3-5-11-18/h3-15,21,26-27H,2,16-17H2,1H3/t21-,23+/m1/s1.
What are the key properties of (2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol?
(2S)-2-[[(2S)-1-(2-fluorophenyl)-2-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol has a molecular weight of 364.46 g/mol, XLogP of 4.39, 8 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-pyridin-2-ylbutan-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 10522804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).