ChemDB: Chemical Search
Download
Chemical ID: 7109704
Chemical ID:
7109704
Name [?]:
N-(o-tolylmethyl)-1-(p-tolyl)methanamine
SMILES [?]:
Cc1ccc(cc1)CNCc2ccccc2C
InChi [?]:
InChI=1/C16H19N/c1-13-7-9-15(10-8-13)11-17-12-16-6-4-3-5-14(16)2/h3-10,17H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,14,13,15,12,3,7,4,6,8,10,2,16,5,11,9/E:(7,8)(9,10)/rA:17nCCCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51066 |
Area: | 439.59 |
Solvation: | -1.4791 |
Coulombic: | -11.7767 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 225.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.12 |
LogP (Chemaxon): | 4.28 |
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 |
---|