General Information of the Compound
Compound ID
CP0428425
Compound Name
2-(4-ethylphenyl)ethylamine
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Structure
Formula
C10H15N
Molecular Weight
149.237
Canonical SMILES
CCc1ccc(CCN)cc1
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InChI
InChI=1S/C10H15N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7-8,11H2,1H3
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InChIKey
XLJAVPNHXCHBPU-UHFFFAOYSA-N
Physicochemical Property
logP
1.7502
Rotatable Bonds
3
Heavy Atom Count
11
Polar Areas
26.02
Hydrogen Bond Donor Count
1
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: 144047
SID: 16275622
ChEMBL ID
CHEMBL453206
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 = 9100 nM
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