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

C15H21BrN2 — CID 53302872

IUPACN-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1ccccc1Br)C2
InChIInChI=1S/C15H21BrN2/c1-18-12-5-4-6-13(18)10-11(9-12)17-15-8-3-2-7-14(15)16/h2-3,7-8,11-13,17H,4-6,9-10H2,1H3
InChIKeyUZJWAFOJOSGEKL-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.88
Rot. Bonds2

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

N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 53302872) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID53302872
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCN1C2CCCC1CC(Nc1ccccc1Br)C2
InChIInChI=1S/C15H21BrN2/c1-18-12-5-4-6-13(18)10-11(9-12)17-15-8-3-2-7-14(15)16/h2-3,7-8,11-13,17H,4-6,9-10H2,1H3
InChIKeyUZJWAFOJOSGEKL-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 53302872) is N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CN1C2CCCC1CC(Nc1ccccc1Br)C2.
What is the InChIKey of N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is UZJWAFOJOSGEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-18-12-5-4-6-13(18)10-11(9-12)17-15-8-3-2-7-14(15)16/h2-3,7-8,11-13,17H,4-6,9-10H2,1H3.
What are the key properties of N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 309.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 53302872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).