ChemDB: Chemical Search
Download
Chemical ID: 4182926
Chemical ID:
4182926
Name [?]:
N-[(3-ethoxy-4-methoxy-phenyl)methyl]cyclohexanamine
SMILES [?]:
CCOc1cc(ccc1OC)CNC2CCCCC2
InChi [?]:
InChI=1/C16H25NO2/c1-3-19-16-11-13(9-10-15(16)18-2)12-17-14-7-5-4-6-8-14/h9-11,14,17H,3-8,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,17,16,18,15,19,7,8,5,12,6,14,9,4,13,10,3/E:(5,6)(7,8)/rA:19nCCOCCCCCCOCCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s6;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74986 |
Area: | 483.968 |
Solvation: | -4.34935 |
Coulombic: | -24.2902 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 263.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.35 |
LogP (Chemaxon): | 2.99 |
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 |
---|