Chemical ID: 4123690

COc1ccc(c(c1)CNCCN2CCOCC2)OC
Chemical ID:
4123690
Name [?]:
N-[(2,5-dimethoxyphenyl)methyl]-2-morpholino-ethanamine
SMILES [?]:
COc1ccc(c(c1)CNCCN2CCOCC2)OC
InChi [?]:
InChI=1/C15H24N2O3/c1-18-14-3-4-15(19-2)13(11-14)12-16-5-6-17-7-9-20-10-8-17/h3-4,11,16H,5-10,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,4,5,11,12,14,18,15,17,8,9,7,3,6,10,13,2,19,16/E:(7,8)(9,10)/rA:20nCOCCCCCCCNCCNCCOCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s13s17;s6;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H24N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.13302
Area:497.615
Solvation:-5.30736
Coulombic:-35.9594
Bond Count [?]
All:21
Single:18
Double:3
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:280.363
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.82
LogP (Chemaxon):0.7

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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