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Chemical ID: 5205761
Chemical ID:
5205761
Name [?]:
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
SMILES [?]:
COc1ccc(cc1OC)CCNCCc2ccc(c(c2)OC)OC
InChi [?]:
InChI=1/C20H27NO4/c1-22-17-7-5-15(13-19(17)24-3)9-11-21-12-10-16-6-8-18(23-2)20(14-16)25-4/h5-8,13-14,21H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,25,10,23,5,17,4,18,11,15,12,14,7,21,6,16,3,19,8,20,13,2,24,9,22/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(22,23)(24,25)/rA:25nCOCCCCCCOCCCNCCCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;s13;s14;s15;s16;d17;s18;d19;d16s20;s20;s22;s19;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.79616 |
Area: | 604.722 |
Solvation: | -8.32188 |
Coulombic: | -37.7181 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 345.433 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.68 |
LogP (Chemaxon): | 2.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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