General Information of the Compound
Compound ID
CP0468332
Compound Name
2-(3-fluorophenyl)-N,N-dimethylethanamine
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Structure
Formula
C10H14FN
Molecular Weight
167.227
Canonical SMILES
CN(C)CCc1cccc(F)c1
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InChI
InChI=1S/C10H14FN/c1-12(2)7-6-9-4-3-5-10(11)8-9/h3-5,8H,6-7H2,1-2H3
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InChIKey
ZXRFTQNOESGYCM-UHFFFAOYSA-N
Physicochemical Property
logP
1.9298
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
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: 22072874
ChEMBL ID
CHEMBL450561
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 = 4320 nM
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