ChemDB: Chemical Search
Download
Chemical ID: 5166953
Chemical ID:
5166953
Name [?]:
2-(3,4-dibenzyloxyphenyl)ethanamine
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2OCc3ccccc3)CCN
InChi [?]:
InChI=1/C22H23NO2/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15H,13-14,16-17,23H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,3,5,18,22,11,10,23,24,13,7,16,12,4,17,9,14,25,8,15/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCCCCCCOCCCCCCOCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;d18;s19;d20;d17s21;s12;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.70506 |
Area: | 591.445 |
Solvation: | -5.08107 |
Coulombic: | -30.7614 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 333.424 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.46 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|