Chemical ID: 7121223

Cc1ccc(cc1C)NCc2ccc[nH+]c2
Chemical ID:
7121223
Name [?]:
3,4-dimethyl-N-(1H-pyridin-5-ylmethyl)aniline
SMILES [?]:
Cc1ccc(cc1C)NCc2ccc[nH+]c2
InChi [?]:
InChI=1/C14H16N2/c1-11-5-6-14(8-12(11)2)16-10-13-4-3-7-15-9-13/h3-9,16H,10H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,8,13,12,3,4,14,6,16,10,2,7,11,5,15,9/rA:16nCCCCCCCCNCCCCCN+C/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17N2+
All Atoms:33
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-23.6745
Area:415.193
Solvation:-34.0544
Coulombic:-3.86331
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:213.298
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.0
LogP (Chemaxon):3.02

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