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Chemical ID: 4183518
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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