General Information of the Compound
Compound ID
CP0468811
Compound Name
(R)Methyl-(1-methyl-2-phenyl-ethyl)-amine
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Structure
Formula
C10H15N
Molecular Weight
149.237
Canonical SMILES
CNC(C)Cc1ccccc1
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InChI
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
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InChIKey
MYWUZJCMWCOHBA-UHFFFAOYSA-N
CAS
30639-16-8
4846-07-5
7632-10-2
Physicochemical Property
logP
1.837
Rotatable Bonds
3
Heavy Atom Count
11
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"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: 1206
SID: 15194698
ChEMBL ID
CHEMBL508
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: PT01929, Synaptic vesicular amine transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  3
1
IC50 = 3620 nM
   TI
   LI
   LO
   TS
2
Ki = 6400 nM
   TI
   LI
   LO
   TS
3
Ki = 24500 nM
   TI
   LI
   LO
   TS