8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H17BrFNO — CID 79673727

IUPAC8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H17BrFNO/c15-10-3-9(4-11(16)5-10)8-17-12-1-2-13(17)7-14(18)6-12/h3-5,12-14,18H,1-2,6-8H2
InChIKeyYHMZZVYESCTCRP-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.08
Rot. Bonds2

About 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 79673727) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID79673727
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC Name8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1cc(F)cc(Br)c1
InChIInChI=1S/C14H17BrFNO/c15-10-3-9(4-11(16)5-10)8-17-12-1-2-13(17)7-14(18)6-12/h3-5,12-14,18H,1-2,6-8H2
InChIKeyYHMZZVYESCTCRP-UHFFFAOYSA-N
XLogP3.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol 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

7-[(3-bromo-5-fluorophenyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 79702103
(3S)-1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-ol
CID 79673830
8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236052
2-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340107
4-[(3-bromo-5-fluorophenyl)methyl]morpholine
CID 79673314
1-[(3-bromo-5-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959990
1-[1-[(3-bromo-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 103728236
3-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-2-yl]propan-1-ol
CID 79673427
1-[(3-bromo-5-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 79706473
1-[(3-bromo-5-fluorophenyl)methyl]-3,5-dimethylpiperazine
CID 79701979
2-[1-[(3-bromo-5-fluorophenyl)methyl]pyrrolidin-3-yl]acetic acid
CID 79702647
1-[(3,5-difluorophenyl)methyl]azetidin-3-ol
CID 105407824

Frequently Asked Questions

What is the IUPAC name of 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 79673727) is 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1cc(F)cc(Br)c1.
What is the InChIKey of 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YHMZZVYESCTCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-10-3-9(4-11(16)5-10)8-17-12-1-2-13(17)7-14(18)6-12/h3-5,12-14,18H,1-2,6-8H2.
What are the key properties of 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 314.20 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-bromo-5-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 79673727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).