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Chemical ID: 5069458
Chemical ID:
5069458
Name [?]:
2-(4-methoxy-3-methyl-phenyl)-4-methyl-pyrrolidine
SMILES [?]:
Cc1cc(ccc1OC)C2CC(CN2)C
InChi [?]:
InChI=1/C13H19NO/c1-9-6-12(14-8-9)11-4-5-13(15-3)10(2)7-11/h4-5,7,9,12,14H,6,8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:15,1,9,5,6,11,3,13,12,2,4,10,7,14,8/rA:15cCCCCCCCOCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;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: | 7.66511 |
Area: | 391.908 |
Solvation: | -2.1326 |
Coulombic: | -17.2149 |
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: | 2.58 |
LogP (Chemaxon): | 2.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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