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Chemical ID: 5069299
Chemical ID:
5069299
Name [?]:
2-(4-ethoxyphenyl)-4-methyl-pyrrolidine
SMILES [?]:
CCOc1ccc(cc1)C2CC(CN2)C
InChi [?]:
InChI=1/C13H19NO/c1-3-15-12-6-4-11(5-7-12)13-8-10(2)9-14-13/h4-7,10,13-14H,3,8-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,6,8,5,9,11,13,12,7,4,10,14,3/E:(4,5)(6,7)/rA:15cCCOCCCCCCCCCCNC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s10s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.81194 |
Area: | 399.277 |
Solvation: | -2.16997 |
Coulombic: | -17.4857 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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