Molecular Details
DICL_CP_0314653
- N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314653
PubChem CID
Molecular Formula
C15H17NO Molecular Weight
227.307 g/mol
Synonyms/Alias
[14429-02-8; benzyl[(4-methoxyphenyl)methyl]amine; N-benzyl-1-(4-methoxyphenyl)methanamine; Benzyl-(4-methoxybenzyl)amine; Benzyl-(4-methoxy-benzyl)-amine; n-benzyl-4-methoxybenzylamine; Benzenemethan...
InChI Key
WZUBICZIDUTTNJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H17NO/c1-17-15-9-7-14(8-10-15)12-16-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
IUPAC Name
N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CAS Number
1333215-30-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 35 0 0 0 0 0 0 0 0999 V2000
5.6152 1.4036 2.2522 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8691 1.8914 1.1420 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7923 1.212...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/2
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >6900 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 8.5
Holding Potential
−100 to 100 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
D172 and I176 within M2 segment of Inward rectifier potassium channel 2; (Kir)
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
5
logP
2.985
Complexity
69.9797
TPSA (Ų)
21.26
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2