Molecular Details
DICL_CP_0316442
- 1-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316442
PubChem CID
Molecular Formula
C16H19NO Molecular Weight
241.334 g/mol
Synonyms/Alias
[(4-Methoxy-benzyl)-(2-methyl-benzyl)-amine; 356093-22-6; (4-METHOXYBENZYL)(2-METHYLBENZYL)AMINE; N-(4-Methoxybenzyl)-1-(o-tolyl)methanamine; 1-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine;...
InChI Key
FYGYXNSSEGQBPC-UHFFFAOYSA-N
InChI
InChI=1S/C16H19NO/c1-13-5-3-4-6-15(13)12-17-11-14-7-9-16(18-2)10-8-14/h3-10,17H,11-12H2,1-2H3
IUPAC Name
1-(4-methoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CAS Number
2086-83-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
37 38 0 0 0 0 0 0 0 0999 V2000
-3.9075 -1.1098 0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7956 0.2663 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7969 0.705...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >30000 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
18
Rotatable Bonds
5
logP
3.2934
Complexity
74.7167
TPSA (Ų)
21.26
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2