General Information of the Compound
Compound ID
CP0374776
Compound Name
2-(2-Benzyl-phenyl)-ethylamine
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Structure
Formula
C15H17N
Molecular Weight
211.308
Canonical SMILES
NCCc1ccccc1Cc1ccccc1
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InChI
InChI=1S/C15H17N/c16-11-10-14-8-4-5-9-15(14)12-13-6-2-1-3-7-13/h1-9H,10-12,16H2
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InChIKey
QWSUTGZKTVZPRT-UHFFFAOYSA-N
Physicochemical Property
logP
2.7786
Rotatable Bonds
4
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: 21439915
ChEMBL ID
CHEMBL297538
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)  1
1
Ki = 1810 nM
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