General Information of the Compound
Compound ID
CP0845431
Compound Name
trans-(2-Naphthalen-2-ylcyclopropyl)methylamine Hydrochloride
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Structure
Formula
C14H16ClN
Molecular Weight
233.742
Canonical SMILES
Cl.NC[C@H]1C[C@@H]1c1ccc2ccccc2c1
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InChI
InChI=1S/C14H15N.ClH/c15-9-13-8-14(13)12-6-5-10-3-1-2-4-11(10)7-12;/h1-7,13-14H,8-9,15H2;1H/t13-,14-;/m1./s1
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InChIKey
PBTDVXHOWNSDHQ-DTPOWOMPSA-N
Physicochemical Property
logP
3.3238
Rotatable Bonds
2
Heavy Atom Count
16
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 44572697
ChEMBL ID
CHEMBL474885
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 = 510 nM
   TI
   LI
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   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 = 2902 nM
   TI
   LI
   LO
   TS