ChemDB: Chemical Search
Download
Chemical ID: 4180655
Chemical ID:
4180655
Name [?]:
N-[3-(2,6-dichlorophenoxy)propyl]butan-1-amine
SMILES [?]:
CCCCNCCCOc1c(cccc1Cl)Cl
InChi [?]:
InChI=1/C13H19Cl2NO/c1-2-3-8-16-9-5-10-17-13-11(14)6-4-7-12(13)15/h4,6-7,16H,2-3,5,8-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,13,7,12,14,4,6,8,11,15,10,17,16,5,9/E:(6,7)(11,12)(14,15)/rA:17nCCCCNCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s11;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19Cl2NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2176 |
Area: | 494.523 |
Solvation: | -2.14544 |
Coulombic: | -19.3618 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.202 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.71 |
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 |
---|