Chemical ID: 5253294

COc1cccc(c1)N(Cc2ccccc2)Cc3ccccc3
Chemical ID:
5253294
Name [?]:
N,N-dibenzyl-3-methoxy-aniline
SMILES [?]:
COc1cccc(c1)N(Cc2ccccc2)Cc3ccccc3
InChi [?]:
InChI=1/C21H21NO/c1-23-21-14-8-13-20(15-21)22(16-18-9-4-2-5-10-18)17-19-11-6-3-7-12-19/h2-15H,16-17H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,21,13,15,20,22,5,12,16,19,23,6,4,8,10,17,11,18,7,3,9,2/E:(2,3)(4,5,6,7)(9,10,11,12)(16,17)(18,19)/rA:23nCOCCCCCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s9;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21NO
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.83238
Area:513.698
Solvation:-3.01007
Coulombic:-17.8091
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.398
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.57
LogP (Chemaxon):5.61

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