N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine

C13H17BrN2 — CID 105363663

IUPACN-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESBrc1ccccc1NC1CCN2CCC1C2
InChIInChI=1S/C13H17BrN2/c14-11-3-1-2-4-13(11)15-12-6-8-16-7-5-10(12)9-16/h1-4,10,12,15H,5-9H2
InChIKeyYEIFBJSWEQDTPF-UHFFFAOYSA-N
MW281.20 g/mol
LogP2.96
Rot. Bonds2

About N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine

N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105363663) has the molecular formula C13H17BrN2 and a molecular weight of 281.20 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105363663
Molecular FormulaC13H17BrN2
Molecular Weight281.20 g/mol
Exact Mass280.06
IUPAC NameN-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESBrc1ccccc1NC1CCN2CCC1C2
InChIInChI=1S/C13H17BrN2/c14-11-3-1-2-4-13(11)15-12-6-8-16-7-5-10(12)9-16/h1-4,10,12,15H,5-9H2
InChIKeyYEIFBJSWEQDTPF-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-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 N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105363663) is N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine is Brc1ccccc1NC1CCN2CCC1C2.
What is the InChIKey of N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is YEIFBJSWEQDTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2/c14-11-3-1-2-4-13(11)15-12-6-8-16-7-5-10(12)9-16/h1-4,10,12,15H,5-9H2.
What are the key properties of N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 281.20 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105363663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).