Chemical ID: 5069824

CCOc1c(cccc1OC)C2CC(CN2)C
Chemical ID:
5069824
Name [?]:
2-(2-ethoxy-3-methoxy-phenyl)-4-methyl-pyrrolidine
SMILES [?]:
CCOc1c(cccc1OC)C2CC(CN2)C
InChi [?]:
InChI=1/C14H21NO2/c1-4-17-14-11(6-5-7-13(14)16-3)12-8-10(2)9-15-12/h5-7,10,12,15H,4,8-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,11,2,7,6,8,13,15,14,5,12,9,4,16,10,3/rA:17cCCOCCCCCCOCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s5;s12;s13;s14;s12s15;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H21NO2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.29267
Area:425.607
Solvation:-3.34751
Coulombic:-25.0394
Bond Count [?]
All:18
Single:15
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:235.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.42
LogP (Chemaxon):2.21

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Descriptor Annotations

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