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Chemical ID: 5164957
Chemical ID:
5164957
Name [?]:
N-[1-methyl-1-(2-thienyl)ethyl]aniline
SMILES [?]:
CC(C)(c1cccs1)Nc2ccccc2
InChi [?]:
InChI=1/C13H15NS/c1-13(2,12-9-6-10-15-12)14-11-7-4-3-5-8-11/h3-10,14H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,13,12,14,6,11,15,5,7,10,4,2,9,8/E:(1,2)(4,5)(7,8)/rA:15nCCCCCCCSNCCCCCC/rB:s1;s2;s2;d4;s5;d6;s4s7;s2;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.12238 |
Area: | 377.608 |
Solvation: | -1.31782 |
Coulombic: | -14.451 |
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: | 3.08 |
LogP (Chemaxon): | 3.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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