ChemDB: Chemical Search
Download
Chemical ID: 5069468
Chemical ID:
5069468
Name [?]:
2-(4-methoxy-2,5-dimethyl-phenyl)-4-methyl-pyrrolidine
SMILES [?]:
Cc1cc(c(cc1OC)C)C2CC(CN2)C
InChi [?]:
InChI=1/C14H21NO/c1-9-5-13(15-8-9)12-6-11(3)14(16-4)7-10(12)2/h6-7,9,13,15H,5,8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:16,10,1,9,12,3,6,14,13,5,2,4,11,7,15,8/rA:16cCCCCCCCOCCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s5;s4;s11;s12;s13;s11s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.02928 |
Area: | 408.149 |
Solvation: | -2.17445 |
Coulombic: | -17.0167 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.05 |
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 |
---|