N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine

C15H21BrN2 — CID 43195061

IUPACN-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(NC1CN2CCC1CC2)c1ccccc1Br
InChIInChI=1S/C15H21BrN2/c1-11(13-4-2-3-5-14(13)16)17-15-10-18-8-6-12(15)7-9-18/h2-5,11-12,15,17H,6-10H2,1H3
InChIKeyHYUOMEYEBYSUMG-UHFFFAOYSA-N
MW309.25 g/mol
LogP3.19
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine

N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 43195061) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID43195061
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC NameN-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(NC1CN2CCC1CC2)c1ccccc1Br
InChIInChI=1S/C15H21BrN2/c1-11(13-4-2-3-5-14(13)16)17-15-10-18-8-6-12(15)7-9-18/h2-5,11-12,15,17H,6-10H2,1H3
InChIKeyHYUOMEYEBYSUMG-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 81374392
N-[1-(4-bromo-2-chlorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 82774176
N-(1-pyridin-2-ylethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195052
N-[1-(2-bromophenyl)ethyl]-1-methylpiperidin-4-amine
CID 43215869
2-[1-(2-bromophenyl)ethylamino]cyclohexan-1-ol
CID 60714831
1-[(3S,4S)-4-[[(1S)-1-(2-bromophenyl)ethyl]amino]-3-methylpiperidin-1-yl]ethanone
CID 97024506
N-[(1R)-1-(2-bromophenyl)ethyl]-1-cyclopropylpyrrolidin-3-amine
CID 81379064
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763532
N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81383170
N-[(1S)-1-(2-bromophenyl)ethyl]-2-tert-butylcyclohexan-1-amine
CID 81383486
N-[(1S)-1-(2-bromophenyl)ethyl]cycloheptanamine
CID 29266972
N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine (CID 43195061) is N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine is CC(NC1CN2CCC1CC2)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is HYUOMEYEBYSUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-11(13-4-2-3-5-14(13)16)17-15-10-18-8-6-12(15)7-9-18/h2-5,11-12,15,17H,6-10H2,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine?
N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 309.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 43195061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).