General Information of the Compound
Compound ID
CP0845430
Compound Name
trans-[2-(2-Chloro-6-methylphenyl)cyclopropyl]methylamine Hydrochloride
    Show/Hide
Structure
Formula
C11H15Cl2N
Molecular Weight
232.154
Canonical SMILES
Cc1cccc(Cl)c1[C@H]1C[C@@H]1CN.Cl
    Show/Hide
InChI
InChI=1S/C11H14ClN.ClH/c1-7-3-2-4-10(12)11(7)9-5-8(9)6-13;/h2-4,8-9H,5-6,13H2,1H3;1H/t8-,9+;/m1./s1
    Show/Hide
InChIKey
OPJBTTOGYLUOHP-RJUBDTSPSA-N
Physicochemical Property
logP
3.13242
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
14

"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: 44572173
ChEMBL ID
CHEMBL474634
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 = 726 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 = 7 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 = 3.5 nM
   TI
   LI
   LO
   TS