Chemical ID: 7196066

CCOc1ccc(cc1OCC)COc2ccc(cc2)N
Chemical ID:
7196066
Name [?]:
4-[(3,4-diethoxyphenyl)methoxy]aniline
SMILES [?]:
CCOc1ccc(cc1OCC)COc2ccc(cc2)N
InChi [?]:
InChI=1/C17H21NO3/c1-3-19-16-10-5-13(11-17(16)20-4-2)12-21-15-8-6-14(18)7-9-15/h5-11H,3-4,12,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,6,17,19,16,20,5,8,13,7,18,15,4,9,21,3,10,14/E:(6,7)(8,9)/rA:21nCCOCCCCCCOCCCOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO3
All Atoms:42
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.25719
Area:516.576
Solvation:-5.65721
Coulombic:-39.0247
Bond Count [?]
All:22
Single:16
Double:6
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:287.354
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.24
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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