ChemDB: Chemical Search
Download
Chemical ID: 5069613
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 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|