General Information of the Compound
Compound ID
CP0845429
Compound Name
trans-[2-(4-Methylphenyl)cyclopropyl]methylamine Hydrochloride
    Show/Hide
Structure
Formula
C11H16ClN
Molecular Weight
197.709
Canonical SMILES
Cc1ccc([C@H]2C[C@@H]2CN)cc1.Cl
    Show/Hide
InChI
InChI=1S/C11H15N.ClH/c1-8-2-4-9(5-3-8)11-6-10(11)7-12;/h2-5,10-11H,6-7,12H2,1H3;1H/t10-,11-;/m1./s1
    Show/Hide
InChIKey
QTQXSVYMFOYPGS-NDXYWBNTSA-N
Physicochemical Property
logP
2.47902
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
13

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44573003
ChEMBL ID
CHEMBL471202
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
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1929 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 37 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 135 nM
   TI
   LI
   LO
   TS