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Chemical ID: 7106657
Chemical ID:
7106657
Name [?]:
N-[(2-ethoxy-3-methoxy-phenyl)methyl]-2-methoxy-ethanamine
SMILES [?]:
CCOc1c(cccc1OC)CNCCOC
InChi [?]:
InChI=1/C13H21NO3/c1-4-17-13-11(10-14-8-9-15-2)6-5-7-12(13)16-3/h5-7,14H,4,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,11,2,7,6,8,14,15,12,5,9,4,13,16,10,3/rA:17nCCOCCCCCCOCCNCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s5;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21NO3 |
All Atoms: | 38 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.57288 |
Area: | 454.215 |
Solvation: | -5.78251 |
Coulombic: | -31.1013 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 239.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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