General Information of the Compound
Compound ID
CP0504300
Compound Name
2-(2,5-Dimethoxy-4-methyl-phenyl)-ethylamine
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Structure
Formula
C11H17NO2
Molecular Weight
195.262
Canonical SMILES
COc1cc(CCN)c(OC)cc1C
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InChI
InChI=1S/C11H17NO2/c1-8-6-11(14-3)9(4-5-12)7-10(8)13-2/h6-7H,4-5,12H2,1-3H3
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InChIKey
UNQQFDCVEMVQHM-UHFFFAOYSA-N
CAS
24333-19-5
Physicochemical Property
logP
1.51342
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: 135740
SID: 16718176
ChEMBL ID
CHEMBL124049
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 = 6478 nM
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