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Chemical ID: 4180694
Chemical ID:
4180694
Name [?]:
2,5-dimethyl-N-(4-pyridylmethyl)aniline
SMILES [?]:
Cc1ccc(c(c1)NCc2ccncc2)C
InChi [?]:
InChI=1/C14H16N2/c1-11-3-4-12(2)14(9-11)16-10-13-5-7-15-8-6-13/h3-9,16H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,3,4,11,15,12,14,7,9,2,5,10,6,13,8/E:(5,6)(7,8)/rA:16nCCCCCCCNCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;d13;d10s14;s5;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.43458 |
Area: | 412.156 |
Solvation: | -1.86931 |
Coulombic: | -17.2683 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 212.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.79 |
LogP (Chemaxon): | 3.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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