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Chemical ID: 7086037
Chemical ID:
7086037
Name [?]:
N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-morpholino-ethanamine
SMILES [?]:
CCOc1ccc(cc1OC)CNCCN2CCOCC2
InChi [?]:
InChI=1/C16H26N2O3/c1-3-21-15-5-4-14(12-16(15)19-2)13-17-6-7-18-8-10-20-11-9-18/h4-5,12,17H,3,6-11,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,6,5,14,15,17,21,18,20,8,12,7,4,9,13,16,10,19,3/E:(8,9)(10,11)/rA:21nCCOCCCCCCOCCNCCNCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.00456 |
Area: | 530.354 |
Solvation: | -6.25429 |
Coulombic: | -36.0606 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 294.389 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.97 |
LogP (Chemaxon): | 1.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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