ChemDB: Chemical Search
Download
Chemical ID: 7109699
Chemical ID:
7109699
Name [?]:
N-[(3-chlorophenyl)methyl]-1-(p-tolyl)methanamine
SMILES [?]:
Cc1ccc(cc1)CNCc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H16ClN/c1-12-5-7-13(8-6-12)10-17-11-14-3-2-4-15(16)9-14/h2-9,17H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,3,7,4,6,16,8,10,2,5,11,15,17,9/E:(5,6)(7,8)/rA:17nCCCCCCCCNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClN |
All Atoms: | 33 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0494 |
Area: | 459.922 |
Solvation: | -1.44866 |
Coulombic: | -12.2099 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 245.747 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.3 |
LogP (Chemaxon): | 4.33 |
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 |
---|