Chemical ID: 7106657

CCOc1c(cccc1OC)CNCCOC
Chemical ID:
7106657
Name [?]:
N-[(2-ethoxy-3-methoxy-phenyl)methyl]-2-methoxy-ethanamine
SMILES [?]:
CCOc1c(cccc1OC)CNCCOC
InChi [?]:
InChI=1/C13H21NO3/c1-4-17-13-11(10-14-8-9-15-2)6-5-7-12(13)16-3/h5-7,14H,4,8-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,11,2,7,6,8,14,15,12,5,9,4,13,16,10,3/rA:17nCCOCCCCCCOCCNCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s5;s12;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H21NO3
All Atoms:38
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.57288
Area:454.215
Solvation:-5.78251
Coulombic:-31.1013
Bond Count [?]
All:17
Single:14
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:239.311
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.33
LogP (Chemaxon):1.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue