General Information of the Compound
Compound ID
CP0427086
Compound Name
2-(4-bromophenyl)-2-phenylethanamine
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Structure
Formula
C14H14BrN
Molecular Weight
276.177
Canonical SMILES
NCC(c1ccccc1)c1ccc(Br)cc1
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InChI
InChI=1S/C14H14BrN/c15-13-8-6-12(7-9-13)14(10-16)11-4-2-1-3-5-11/h1-9,14H,10,16H2
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InChIKey
UFQBLLHPZKGJGQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.5397
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 25139019
SID: 56467716
ChEMBL ID
CHEMBL444761
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  2
1
Ki = 3.5 nM
   TI
   LI
   LO
   TS
2
Ki = 260 nM
   TI
   LI
   LO
   TS