Chemical ID: 5069569

Cc1cc(cc(c1)OC)C2CC(CN2)C
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

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Descriptor Annotations

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