Molecule

ID:20117

General Information
Structure
Molecular Formula
C₁₅H₁₈N₂O
Molecular Mass
242.31622
Exact Mass
242.14191321
Charge
0
InChI
InChI=1S/C15H18N2O/c1-17(14-5-3-2-4-6-14)11-12-18-15-9-7-13(16)8-10-15/h2-10H,11-12,16H2,1H3
InChIKey
YAXQQMOLTHUHEX-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCCN(c1ccccc1)C
Isomeric Smiles
N(c1ccccc1)(CCOc1ccc(N)cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.761358
LogD (pH = 7.4)
2.8944268
Log P
2.8964133
Molar Refractivity
75.7392
Polarizability
28.424274
Polar Surface Area
38.49
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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