General Information of the Compound
Compound ID
CP0515304
Compound Name
2-(2-bromopheneyl)ethylamine
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Structure
Formula
C8H10BrN
Molecular Weight
200.079
Canonical SMILES
NCCc1ccccc1Br
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InChI
InChI=1S/C8H10BrN/c9-8-4-2-1-3-7(8)5-6-10/h1-4H,5-6,10H2
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InChIKey
ITRNQMJXZUWZQL-UHFFFAOYSA-N
Physicochemical Property
logP
1.9503
Rotatable Bonds
2
Heavy Atom Count
10
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
10

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 2734091
SID: 16239052
ChEMBL ID
CHEMBL447753
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04763, Trace amine-associated receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 57 nM
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