ChemDB: Chemical Search
Download
Chemical ID: 4176960
Chemical ID:
4176960
Name [?]:
4-methyl-N-(3-pyridylmethyl)aniline
SMILES [?]:
Cc1ccc(cc1)NCc2cccnc2
InChi [?]:
InChI=1/C13H14N2/c1-11-4-6-13(7-5-11)15-10-12-3-2-8-14-9-12/h2-9,15H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,3,7,4,6,13,15,9,2,10,5,14,8/E:(4,5)(6,7)/rA:15nCCCCCCCNCCCCCNC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.04872 |
Area: | 395.038 |
Solvation: | -1.82722 |
Coulombic: | -17.5818 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.55 |
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 |
---|