Chemical ID: 4183518

Cc1cc(cc(c1)NCc2cc(c(cc2OC)OC)OC)C
Chemical ID:
4183518
Name [?]:
3,5-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]aniline
SMILES [?]:
Cc1cc(cc(c1)NCc2cc(c(cc2OC)OC)OC)C
InChi [?]:
InChI=1/C18H23NO3/c1-12-6-13(2)8-15(7-12)19-11-14-9-17(21-4)18(22-5)10-16(14)20-3/h6-10,19H,11H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,22,17,21,19,3,7,5,11,14,9,2,4,10,6,15,12,13,8,16,20,18/E:(1,2)(7,8)(12,13)/rA:22nCCCCCCCNCCCCCCCOCOCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s13;s18;s12;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H23NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.05349
Area:521.565
Solvation:-5.98563
Coulombic:-32.816
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:301.38
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.73
LogP (Chemaxon):3.57

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Descriptor Annotations

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