(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol

C19H16ClFN2O — CID 59446295

IUPAC(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol
SMILESN[C@@H](c1ccc(Cl)cc1F)[C@H](O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C19H16ClFN2O/c20-15-7-8-16(17(21)10-15)18(22)19(24)13-5-3-12(4-6-13)14-2-1-9-23-11-14/h1-11,18-19,24H,22H2/t18-,19+/m0/s1
InChIKeyRGCOZZAOTAJLCP-RBUKOAKNSA-N
MW342.80 g/mol
LogP4.27
Rot. Bonds4

About (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol

(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol (PubChem CID 59446295) has the molecular formula C19H16ClFN2O and a molecular weight of 342.80 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol
PubChem CID59446295
Molecular FormulaC19H16ClFN2O
Molecular Weight342.80 g/mol
Exact Mass342.09
IUPAC Name(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol
SMILESN[C@@H](c1ccc(Cl)cc1F)[C@H](O)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C19H16ClFN2O/c20-15-7-8-16(17(21)10-15)18(22)19(24)13-5-3-12(4-6-13)14-2-1-9-23-11-14/h1-11,18-19,24H,22H2/t18-,19+/m0/s1
InChIKeyRGCOZZAOTAJLCP-RBUKOAKNSA-N
XLogP4.27
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.80
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol (CID 59446295) is (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol is N[C@@H](c1ccc(Cl)cc1F)[C@H](O)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol?
The InChIKey is RGCOZZAOTAJLCP-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H16ClFN2O/c20-15-7-8-16(17(21)10-15)18(22)19(24)13-5-3-12(4-6-13)14-2-1-9-23-11-14/h1-11,18-19,24H,22H2/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol?
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol has a molecular weight of 342.80 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-(4-pyridin-3-ylphenyl)ethanol is sourced from PubChem (CID 59446295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).