Molecule

ID:47780

General Information
Structure
Molecular Formula
C₁₅H₁₈N₂
Molecular Mass
226.31682
Exact Mass
226.14699859
Charge
0
InChI
InChI=1S/C15H18N2/c1-2-17(12-13-6-4-3-5-7-13)15-10-8-14(16)9-11-15/h3-11H,2,12,16H2,1H3
InChIKey
NDFBOKSIVYNZSI-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)N)Cc1ccccc1
Isomeric Smiles
N(c1ccc(N)cc1)(Cc1ccccc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5190737
LogD (pH = 7.4)
3.304025
Log P
3.3336449
Molar Refractivity
74.5482
Polarizability
27.78387
Polar Surface Area
29.26
Rotatable Bonds
4
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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