8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C15H20BrNO2 — CID 82970728

IUPAC8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(O)c1cc(Br)ccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20BrNO2/c1-9(18)14-6-10(16)2-5-15(14)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,9,11-13,18-19H,3-4,7-8H2,1H3
InChIKeyRNFBLOPJXKIMRR-UHFFFAOYSA-N
MW326.23 g/mol
LogP2.99
Rot. Bonds2

About 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 82970728) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID82970728
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(O)c1cc(Br)ccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20BrNO2/c1-9(18)14-6-10(16)2-5-15(14)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,9,11-13,18-19H,3-4,7-8H2,1H3
InChIKeyRNFBLOPJXKIMRR-UHFFFAOYSA-N
XLogP2.99
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromophenyl)-2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)ethanol
CID 44350787
[5-Bromo-2-(methylamino)phenyl]-phenylmethanol
CID 5187018
[5-Bromo-2-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methanol
CID 69277972
[5-bromo-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]methanol
CID 143325436
(4-Bromo-2-pyrrolidin-1-ylphenyl)methanol
CID 43174070
8-[4-Fluoro-2-(hydroxymethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55237410
8-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55237411
8-[4-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55237798
1-[2-[(4-Bromophenyl)methyl-methylamino]-5-fluorophenyl]ethanol
CID 61415307
1-[2-[(4-Bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61415353
1-[2-[(3-Bromophenyl)methyl-methylamino]-5-fluorophenyl]ethanol
CID 61416162
1-[2-[(3-Bromophenyl)methyl-methylamino]-6-fluorophenyl]ethanol
CID 61416210

Frequently Asked Questions

What is the IUPAC name of 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 82970728) is 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is CC(O)c1cc(Br)ccc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is RNFBLOPJXKIMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-9(18)14-6-10(16)2-5-15(14)17-11-3-4-12(17)8-13(19)7-11/h2,5-6,9,11-13,18-19H,3-4,7-8H2,1H3.
What are the key properties of 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 326.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-bromo-2-(1-hydroxyethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 82970728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).