N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine

C16H23BrN2 — CID 58349735

IUPACN-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN(c1ccccc1Br)C1CC2CCCC(C1)N2C
InChIInChI=1S/C16H23BrN2/c1-18-12-6-5-7-13(18)11-14(10-12)19(2)16-9-4-3-8-15(16)17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3
InChIKeyGYWYYKLCFBIYDH-UHFFFAOYSA-N
MW323.28 g/mol
LogP3.90
Rot. Bonds2

About N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine

N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 58349735) has the molecular formula C16H23BrN2 and a molecular weight of 323.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID58349735
Molecular FormulaC16H23BrN2
Molecular Weight323.28 g/mol
Exact Mass322.10
IUPAC NameN-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN(c1ccccc1Br)C1CC2CCCC(C1)N2C
InChIInChI=1S/C16H23BrN2/c1-18-12-6-5-7-13(18)11-14(10-12)19(2)16-9-4-3-8-15(16)17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3
InChIKeyGYWYYKLCFBIYDH-UHFFFAOYSA-N
XLogP3.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.28
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-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 N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 58349735) is N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine is CN(c1ccccc1Br)C1CC2CCCC(C1)N2C.
What is the InChIKey of N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is GYWYYKLCFBIYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2/c1-18-12-6-5-7-13(18)11-14(10-12)19(2)16-9-4-3-8-15(16)17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3.
What are the key properties of N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 323.28 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 58349735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).