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Chemical ID: 3996056
Chemical ID:
3996056
Name [?]:
2-(4-ethoxy-3-methoxy-phenyl)-2-morpholino-ethanamine
SMILES [?]:
CCOc1ccc(cc1OC)C(CN)N2CCOCC2
InChi [?]:
InChI=1/C15H24N2O3/c1-3-20-14-5-4-12(10-15(14)18-2)13(11-16)17-6-8-19-9-7-17/h4-5,10,13H,3,6-9,11,16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,6,5,16,20,17,19,8,13,7,12,4,9,14,15,10,18,3/E:(6,7)(8,9)/rA:20cCCOCCCCCCOCCCNNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;s12;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.96984 |
Area: | 474.543 |
Solvation: | -5.89373 |
Coulombic: | -39.7336 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 280.363 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.69 |
LogP (Chemaxon): | 0.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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