ChemDB: Chemical Search
Download
Chemical ID: 7061786
Chemical ID:
7061786
Name [?]:
3-(2-chlorophenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
SMILES [?]:
COCCN(CCCOc1ccccc1Cl)CCOC
InChi [?]:
InChI=1/C15H24ClNO3/c1-18-12-9-17(10-13-19-2)8-5-11-20-15-7-4-3-6-14(15)16/h3-4,6-7H,5,8-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,13,12,7,14,11,6,4,17,8,3,18,15,10,16,5,2,19,9/E:(1,2)(9,10)(12,13)(18,19)/rA:20nCOCCNCCCOCCCCCCClCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s5;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H24ClNO3 |
All Atoms: | 44 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.24919 |
Area: | 520.782 |
Solvation: | -5.77036 |
Coulombic: | -27.6404 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 301.809 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.39 |
LogP (Chemaxon): | 2.01 |
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 |
---|