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Chemical ID: 7106686
Chemical ID:
7106686
Name [?]:
N-[(3-ethoxyphenyl)methyl]-2-methoxy-ethanamine
SMILES [?]:
CCOc1cccc(c1)CNCCOC
InChi [?]:
InChI=1/C12H19NO2/c1-3-15-12-6-4-5-11(9-12)10-13-7-8-14-2/h4-6,9,13H,3,7-8,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,6,7,5,12,13,9,10,8,4,11,14,3/rA:15nCCOCCCCCCCNCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO2 |
All Atoms: | 34 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.14783 |
Area: | 428.01 |
Solvation: | -4.55242 |
Coulombic: | -23.7416 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 209.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.68 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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