Chemical ID: 4122297

c1ccc(cc1)NCc2ccccn2
Chemical ID:
4122297
Name [?]:
N-(2-pyridylmethyl)aniline
SMILES [?]:
c1ccc(cc1)NCc2ccccn2
InChi [?]:
InChI=1/C12H12N2/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13-12/h1-9,14H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,8,4,9,14,7/E:(2,3)(6,7)/rA:14nCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12N2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.45985
Area:372.779
Solvation:-1.85964
Coulombic:-18.0997
Bond Count [?]
All:15
Single:9
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:184.237
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.22
LogP (Chemaxon):2.24

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