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Chemical ID: 4470589
Chemical ID:
4470589
Name [?]:
2-(4-benzyloxyphenoxy)-N-methyl-ethanamine
SMILES [?]:
CNCCOc1ccc(cc1)OCc2ccccc2
InChi [?]:
InChI=1/C16H19NO2/c1-17-11-12-18-15-7-9-16(10-8-15)19-13-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,16,18,15,19,7,11,8,10,3,4,13,14,6,9,2,5,12/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCNCCOCCCCCCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.78292 |
Area: | 481.959 |
Solvation: | -4.26606 |
Coulombic: | -25.0061 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.328 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.18 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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