(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol

C19H15Cl2FN2O — CID 46893044

IUPAC(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol
SMILESN[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(-c2cncc(F)c2)cc1
InChIInChI=1S/C19H15Cl2FN2O/c20-16-6-5-13(8-17(16)21)18(23)19(25)12-3-1-11(2-4-12)14-7-15(22)10-24-9-14/h1-10,18-19,25H,23H2/t18-,19+/m0/s1
InChIKeyHZPVBIPJAUXCMZ-RBUKOAKNSA-N
MW377.25 g/mol
LogP4.93
Rot. Bonds4

About (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol

(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol (PubChem CID 46893044) has the molecular formula C19H15Cl2FN2O and a molecular weight of 377.25 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol
PubChem CID46893044
Molecular FormulaC19H15Cl2FN2O
Molecular Weight377.25 g/mol
Exact Mass376.05
IUPAC Name(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol
SMILESN[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(-c2cncc(F)c2)cc1
InChIInChI=1S/C19H15Cl2FN2O/c20-16-6-5-13(8-17(16)21)18(23)19(25)12-3-1-11(2-4-12)14-7-15(22)10-24-9-14/h1-10,18-19,25H,23H2/t18-,19+/m0/s1
InChIKeyHZPVBIPJAUXCMZ-RBUKOAKNSA-N
XLogP4.93
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol?
The IUPAC name of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol (CID 46893044) is (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol is N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H](O)c1ccc(-c2cncc(F)c2)cc1.
What is the InChIKey of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol?
The InChIKey is HZPVBIPJAUXCMZ-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H15Cl2FN2O/c20-16-6-5-13(8-17(16)21)18(23)19(25)12-3-1-11(2-4-12)14-7-15(22)10-24-9-14/h1-10,18-19,25H,23H2/t18-,19+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol?
(1R,2S)-2-amino-2-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol has a molecular weight of 377.25 g/mol, XLogP of 4.93, 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-(3,4-dichlorophenyl)-1-[4-(5-fluoro-3-pyridinyl)phenyl]ethanol is sourced from PubChem (CID 46893044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).