General Information of the Compound
Compound ID
CP0462273
Compound Name
(2R)-1-(3-methoxyphenyl)propan-2-amine
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Structure
Formula
C10H15NO
Molecular Weight
165.236
Canonical SMILES
COc1cccc(C[C@@H](C)N)c1
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InChI
InChI=1S/C10H15NO/c1-8(11)6-9-4-3-5-10(7-9)12-2/h3-5,7-8H,6,11H2,1-2H3/t8-/m1/s1
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InChIKey
VEJWNIYARKAHFI-MRVPVSSYSA-N
Physicochemical Property
logP
1.5849
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 22809970
ChEMBL ID
CHEMBL1927027
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
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 6500 nM
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