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Chemical ID: 5069824
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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