ChemDB: Chemical Search
Download
Chemical ID: 7105154
Chemical ID:
7105154
Name [?]:
N-[(3,4-dichlorophenyl)methyl]-2-(4-fluorophenyl)-ethanamine
SMILES [?]:
c1cc(ccc1CCNCc2ccc(c(c2)Cl)Cl)F
InChi [?]:
InChI=1/C15H14Cl2FN/c16-14-6-3-12(9-15(14)17)10-19-8-7-11-1-4-13(18)5-2-11/h1-6,9,19H,7-8,10H2
InChi Info:
AuxInfo=1/0/N:1,5,12,2,4,13,7,8,16,10,6,11,3,14,15,18,17,19,9/E:(1,2)(4,5)/rA:19nCCCCCCCCNCCCCCCCClClF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14Cl2FN |
All Atoms: | 33 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2952 |
Area: | 500.359 |
Solvation: | -2.21372 |
Coulombic: | -15.9236 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.182 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.78 |
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 |
---|