ChemDB: Chemical Search
Download
Chemical ID: 4121968
Chemical ID:
4121968
Name [?]:
1-phenyl-N-(3-pyridylmethyl)methanamine
SMILES [?]:
c1ccc(cc1)CNCc2cccnc2
InChi [?]:
InChI=1/C13H14N2/c1-2-5-12(6-3-1)9-15-11-13-7-4-8-14-10-13/h1-8,10,15H,9,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,3,5,11,13,7,15,9,4,10,14,8/E:(2,3)(5,6)/rA:15nCCCCCCCNCCCCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;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: | 7.9059 |
Area: | 400.174 |
Solvation: | -2.09846 |
Coulombic: | -15.0913 |
Bond Count [?]
All: | 16 |
Single: | 10 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.264 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.99 |
LogP (Chemaxon): | 2.04 |
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 |
---|