General Information of the Compound
Compound ID
CP0448481
Compound Name
(+/-)2-(2,6-Dimethoxy-phenyl)-1-methyl-ethylamine
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Structure
Formula
C11H17NO2
Molecular Weight
195.262
Canonical SMILES
COc1cccc(OC)c1CC(C)N
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InChI
InChI=1S/C11H17NO2/c1-8(12)7-9-10(13-2)5-4-6-11(9)14-3/h4-6,8H,7,12H2,1-3H3
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InChIKey
OHGNLLDQBKOWJW-UHFFFAOYSA-N
CAS
23690-14-4
Physicochemical Property
logP
1.5935
Rotatable Bonds
4
Heavy Atom Count
14
Polar Areas
44.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 141048
ChEMBL ID
CHEMBL30577
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: PT01492, 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 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000398 A-9 Mus musculus (Mouse)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS