Chemical ID: 3996056

CCOc1ccc(cc1OC)C(CN)N2CCOCC2
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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