Chemical ID: 5205761

COc1ccc(cc1OC)CCNCCc2ccc(c(c2)OC)OC
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

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Experimental Annotations

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Descriptor Annotations

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