General Information of the Compound
Compound ID
CP0374099
Compound Name
N-methyl-1-[(1S,2S)-2-phenylcyclopropyl]methanamine
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Structure
Formula
C11H15N
Molecular Weight
161.248
Canonical SMILES
CNC[C@H]1C[C@@H]1c1ccccc1
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InChI
InChI=1S/C11H15N/c1-12-8-10-7-11(10)9-5-3-2-4-6-9/h2-6,10-12H,7-8H2,1H3/t10-,11-/m1/s1
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InChIKey
MSKJTQHAEVRFRN-GHMZBOCLSA-N
Physicochemical Property
logP
2.0095
Rotatable Bonds
3
Heavy Atom Count
12
Polar Areas
12.03
Hydrogen Bond Donor Count
1
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: 10898996
SID: 15946831
ChEMBL ID
CHEMBL492700
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: 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 > 10000 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 = 634 nM
   TI
   LI
   LO
   TS