(1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol

C21H24BrNO — CID 24968537

IUPAC(1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol
SMILESO[C@@H](CN1C2CCC1CC(c1ccccc1)C2)c1cccc(Br)c1
InChIInChI=1S/C21H24BrNO/c22-18-8-4-7-16(11-18)21(24)14-23-19-9-10-20(23)13-17(12-19)15-5-2-1-3-6-15/h1-8,11,17,19-21,24H,9-10,12-14H2/t17?,19?,20?,21-/m0/s1
InChIKeyOPZPEBWJFYVOEI-SLQSYFLNSA-N
MW386.33 g/mol
LogP4.89
Rot. Bonds4

About (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol

(1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol (PubChem CID 24968537) has the molecular formula C21H24BrNO and a molecular weight of 386.33 g/mol. Its IUPAC name is (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol
PubChem CID24968537
Molecular FormulaC21H24BrNO
Molecular Weight386.33 g/mol
Exact Mass385.10
IUPAC Name(1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol
SMILESO[C@@H](CN1C2CCC1CC(c1ccccc1)C2)c1cccc(Br)c1
InChIInChI=1S/C21H24BrNO/c22-18-8-4-7-16(11-18)21(24)14-23-19-9-10-20(23)13-17(12-19)15-5-2-1-3-6-15/h1-8,11,17,19-21,24H,9-10,12-14H2/t17?,19?,20?,21-/m0/s1
InChIKeyOPZPEBWJFYVOEI-SLQSYFLNSA-N
XLogP4.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol 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

(1S)-2-[(1R,5S)-3-benzylidene-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168269837
(1R)-2-[(1S,5R)-3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168270550
(1R)-2-[(1S,5R)-3-benzylidene-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)ethanol
CID 168270750
(1S)-2-[(1R,5S)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168273053
(1R)-1-(4-fluorophenyl)-2-[(1R,5S)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]ethanol
CID 168274137
(1R)-2-[(1S,5R)-3-benzyl-8-azabicyclo[3.2.1]octan-8-yl]-1-(4-fluorophenyl)ethanol
CID 168276105
(1R)-2-[(1S,5R)-3-[(4-fluorophenyl)methylidene]-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168278843
(1R)-1-(4-fluorophenyl)-2-[(1R,5S)-3-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-8-yl]ethanol
CID 168279655
(1R)-2-[(1R,5S)-3-benzylidene-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylethanol
CID 168294049
1-(4-Bromophenyl)-3-(4-phenyl-1-piperidyl)propan-2-ol
CID 369967
1-(4-Bromophenyl)-2-(4-phenyl-1-piperidyl)ethanol
CID 369973
1-(3-Bromo-phenyl)-3-(4-phenyl-piperidin-1-yl)-propan-2-ol
CID 15048608

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol?
The IUPAC name of (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol (CID 24968537) is (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol.
What is the SMILES notation for (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol?
The canonical SMILES for (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol is O[C@@H](CN1C2CCC1CC(c1ccccc1)C2)c1cccc(Br)c1.
What is the InChIKey of (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol?
The InChIKey is OPZPEBWJFYVOEI-SLQSYFLNSA-N. The full InChI is InChI=1S/C21H24BrNO/c22-18-8-4-7-16(11-18)21(24)14-23-19-9-10-20(23)13-17(12-19)15-5-2-1-3-6-15/h1-8,11,17,19-21,24H,9-10,12-14H2/t17?,19?,20?,21-/m0/s1.
What are the key properties of (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol?
(1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol has a molecular weight of 386.33 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromophenyl)-2-(3-phenyl-8-azabicyclo[3.2.1]octan-8-yl)ethanol is sourced from PubChem (CID 24968537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).