Chemical ID: 4176960

Cc1ccc(cc1)NCc2cccnc2
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.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue