8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine

C13H16BrFN2 — CID 107603606

IUPAC8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1c(F)cccc1Br
InChIInChI=1S/C13H16BrFN2/c14-11-2-1-3-12(15)13(11)17-9-4-5-10(17)7-8(16)6-9/h1-3,8-10H,4-7,16H2
InChIKeySLFKMFMPOUICMR-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.05
Rot. Bonds1

About 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine

8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107603606) has the molecular formula C13H16BrFN2 and a molecular weight of 299.19 g/mol. Its IUPAC name is 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107603606
Molecular FormulaC13H16BrFN2
Molecular Weight299.19 g/mol
Exact Mass298.05
IUPAC Name8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2c1c(F)cccc1Br
InChIInChI=1S/C13H16BrFN2/c14-11-2-1-3-12(15)13(11)17-9-4-5-10(17)7-8(16)6-9/h1-3,8-10H,4-7,16H2
InChIKeySLFKMFMPOUICMR-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine 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

9-(2-bromo-6-fluorophenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107603600
8-(2,3-difluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106618
8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 107639345
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
8-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739948
8-phenyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739086
1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine
CID 107600628
(3R)-1-(2-bromo-6-fluorophenyl)-3-deuteriopyrrolidine
CID 175934790
9-[2-chloro-6-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712557
8-(2-ethyl-6-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62739466
1-(2,6-difluorophenyl)piperidin-4-amine
CID 28974632
1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
CID 139569555

Frequently Asked Questions

What is the IUPAC name of 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 107603606) is 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2c1c(F)cccc1Br.
What is the InChIKey of 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is SLFKMFMPOUICMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2/c14-11-2-1-3-12(15)13(11)17-9-4-5-10(17)7-8(16)6-9/h1-3,8-10H,4-7,16H2.
What are the key properties of 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 299.19 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107603606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).