General Information of the Compound
Compound ID
CP0385241
Compound Name
1-[3-(2-methoxyphenyl)-4-methylphenyl]-N-methylmethanamine
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Structure
Formula
C16H19NO
Molecular Weight
241.334
Canonical SMILES
CNCc1ccc(C)c(c1)-c1ccccc1OC
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InChI
InChI=1S/C16H19NO/c1-12-8-9-13(11-17-2)10-15(12)14-6-4-5-7-16(14)18-3/h4-10,17H,11H2,1-3H3
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InChIKey
YVGUQAHJAMDDHE-UHFFFAOYSA-N
Physicochemical Property
logP
3.39002
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
21.26
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 92042877
ChEMBL ID
CHEMBL3943658
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: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 15 nM
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