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Chemical ID: 5069569
Chemical ID:
5069569
Name [?]:
2-(3-methoxy-5-methyl-phenyl)-4-methyl-pyrrolidine
SMILES [?]:
Cc1cc(cc(c1)OC)C2CC(CN2)C
InChi [?]:
InChI=1/C13H19NO/c1-9-4-11(7-12(5-9)15-3)13-6-10(2)8-14-13/h4-5,7,10,13-14H,6,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,9,3,7,11,5,13,2,12,4,6,10,14,8/rA:15cCCCCCCCOCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s4;s10;s11;s12;s10s13;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.54093 |
Area: | 393.911 |
Solvation: | -2.30683 |
Coulombic: | -17.0263 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 205.296 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.79 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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