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Chemical ID: 7061698
Chemical ID:
7061698
Name [?]:
N,N-bis(2-methoxyethyl)-2-(3-methylphenoxy)-ethanamine
SMILES [?]:
Cc1cccc(c1)OCCN(CCOC)CCOC
InChi [?]:
InChI=1/C15H25NO3/c1-14-5-4-6-15(13-14)19-12-9-16(7-10-17-2)8-11-18-3/h4-6,13H,7-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,19,4,3,5,12,16,10,13,17,9,7,2,6,11,14,18,8/E:(2,3)(7,8)(10,11)(17,18)/rA:19nCCCCCCCOCCNCCOCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s11;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO3 |
All Atoms: | 44 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.40521 |
Area: | 496.216 |
Solvation: | -8.00018 |
Coulombic: | -25.1645 |
Bond Count [?]
All: | 19 |
Single: | 16 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 267.364 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.85 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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