General Information of the Compound
Compound ID
CP0859043
Compound Name
(-)-trans-(R,R)-[2-(2-Cyclopropylmethyloxyphenyl)cyclopropyl]methylamine Hydrochloride
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Structure
Formula
C14H20ClNO
Molecular Weight
253.773
Canonical SMILES
Cl.NC[C@@H]1C[C@H]1c1ccccc1OCC1CC1
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InChI
InChI=1S/C14H19NO.ClH/c15-8-11-7-13(11)12-3-1-2-4-14(12)16-9-10-5-6-10;/h1-4,10-11,13H,5-9,15H2;1H/t11-,13+;/m0./s1
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InChIKey
AVCPPDXOYGDSFJ-STEACBGWSA-N
Physicochemical Property
logP
2.9594
Rotatable Bonds
5
Heavy Atom Count
17
Polar Areas
35.25
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 70685539
ChEMBL ID
CHEMBL2022193
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: 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 = 978 nM
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