General Information of the Compound
Compound ID
CP0522569
Compound Name
4-(2-Amino-propyl)-2,5-dimethoxy-phenol
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Structure
Formula
C11H17NO3
Molecular Weight
211.261
Canonical SMILES
COc1cc(CC(C)N)c(OC)cc1O
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InChI
InChI=1S/C11H17NO3/c1-7(12)4-8-5-11(15-3)9(13)6-10(8)14-2/h5-7,13H,4,12H2,1-3H3
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InChIKey
XZYTWVYCADLTTI-UHFFFAOYSA-N
Physicochemical Property
logP
1.2991
Rotatable Bonds
4
Heavy Atom Count
15
Polar Areas
64.71
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
15

"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: 44265202
ChEMBL ID
CHEMBL8352
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 > 50000 nM
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