Chemical ID: 7086037

CCOc1ccc(cc1OC)CNCCN2CCOCC2
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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Descriptor Annotations

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