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Chemical ID: 6510803
Chemical ID:
6510803
Name [?]:
3,4-dimethyl-N-(2-thienylmethyl)aniline
SMILES [?]:
Cc1ccc(cc1C)NCc2cccs2
InChi [?]:
InChI=1/C13H15NS/c1-10-5-6-12(8-11(10)2)14-9-13-4-3-7-15-13/h3-8,14H,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,13,12,3,4,14,6,10,2,7,5,11,9,15/rA:15nCCCCCCCCNCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;s10;d11;s12;d13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.08344 |
Area: | 414.665 |
Solvation: | -1.28318 |
Coulombic: | -13.9119 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 217.331 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.31 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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