General Information of the Compound
Compound ID
CP0373894
Compound Name
N,N-dimethyl-2-phenylethanamine
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Structure
Formula
C10H15N
Molecular Weight
149.237
Canonical SMILES
CN(C)CCc1ccccc1
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InChI
InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
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InChIKey
TXOFSCODFRHERQ-UHFFFAOYSA-N
Physicochemical Property
logP
1.7907
Rotatable Bonds
3
Heavy Atom Count
11
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
11

"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: 25125
SID: 15170875
ChEMBL ID
CHEMBL46278
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
CL000125 MCB3901 Mesocricetus auratus (Golden hamster)  1
1
EC50 = 1490 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
EC50 = 100000 nM
   TI
   LI
   LO
   TS