Chemical ID: 5069613

CCOc1cc(cc(c1C2CC(CN2)C)C)C
Chemical ID:
5069613
Name [?]:
2-(2-ethoxy-4,6-dimethyl-phenyl)-4-methyl-pyrrolidine
SMILES [?]:
CCOc1cc(cc(c1C2CC(CN2)C)C)C
InChi [?]:
InChI=1/C15H23NO/c1-5-17-14-8-10(2)6-12(4)15(14)13-7-11(3)9-16-13/h6,8,11,13,16H,5,7,9H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,17,15,16,2,7,11,5,13,6,12,8,10,4,9,14,3/rA:17cCCOCCCCCCCCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s10s13;s12;s8;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:8.31024
Area:424.702
Solvation:-2.3073
Coulombic:-16.1719
Bond Count [?]
All:18
Single:15
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.349
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.65
LogP (Chemaxon):3.4

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Descriptor Annotations

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