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

C14H19BrN2 — CID 107639345

IUPAC8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1c(Br)cccc1N1C2CCC1CC(N)C2
InChIInChI=1S/C14H19BrN2/c1-9-13(15)3-2-4-14(9)17-11-5-6-12(17)8-10(16)7-11/h2-4,10-12H,5-8,16H2,1H3
InChIKeyQIIYBLFKRFDMLN-UHFFFAOYSA-N
MW295.22 g/mol
LogP3.22
Rot. Bonds1

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

8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 107639345) has the molecular formula C14H19BrN2 and a molecular weight of 295.22 g/mol. Its IUPAC name is 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID107639345
Molecular FormulaC14H19BrN2
Molecular Weight295.22 g/mol
Exact Mass294.07
IUPAC Name8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1c(Br)cccc1N1C2CCC1CC(N)C2
InChIInChI=1S/C14H19BrN2/c1-9-13(15)3-2-4-14(9)17-11-5-6-12(17)8-10(16)7-11/h2-4,10-12H,5-8,16H2,1H3
InChIKeyQIIYBLFKRFDMLN-UHFFFAOYSA-N
XLogP3.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(3-bromo-2-methylphenyl)-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

Frequently Asked Questions

What is the IUPAC name of 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine (CID 107639345) is 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is Cc1c(Br)cccc1N1C2CCC1CC(N)C2.
What is the InChIKey of 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is QIIYBLFKRFDMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2/c1-9-13(15)3-2-4-14(9)17-11-5-6-12(17)8-10(16)7-11/h2-4,10-12H,5-8,16H2,1H3.
What are the key properties of 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 295.22 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-bromo-2-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 107639345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).