ChemDB: Chemical Search
Download
Chemical ID: 6657807
Chemical ID:
6657807
Name [?]:
N-[2-(2-allyl-6-methoxy-phenoxy)ethyl]-N-ethyl-ethanamine
SMILES [?]:
CCN(CC)CCOc1c(cccc1OC)CC=C
InChi [?]:
InChI=1/C16H25NO2/c1-5-9-14-10-8-11-15(18-4)16(14)19-13-12-17(6-2)7-3/h5,8,10-11H,1,6-7,9,12-13H2,2-4H3
InChi Info:
AuxInfo=1/0/N:19,1,5,16,18,2,4,12,17,11,13,6,7,10,14,9,3,15,8/E:(2,3)(6,7)/rA:19nCCNCCCCOCCCCCCOCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;s15;s10;s17;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.30114 |
Area: | 466.132 |
Solvation: | -3.35215 |
Coulombic: | -22.967 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 263.375 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.36 |
LogP (Chemaxon): | 3.25 |
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 |
---|