General Information of the Compound
Compound ID
CP0885845
Compound Name
(+/-)2-(3,5-Dimethoxy-phenyl)-1-methyl-ethylamine
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Structure
Formula
C11H17NO2
Molecular Weight
195.262
Canonical SMILES
COc1cc(C[C@@H](C)N)cc(OC)c1
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InChI
InChI=1S/C11H17NO2/c1-8(12)4-9-5-10(13-2)7-11(6-9)14-3/h5-8H,4,12H2,1-3H3/t8-/m1/s1
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InChIKey
PDCLPGSYMZLLDX-MRVPVSSYSA-N
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: 11052547
SID: 16118814
ChEMBL ID
CHEMBL2367824
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