Chemical ID: 5164957

CC(C)(c1cccs1)Nc2ccccc2
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

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Experimental Annotations

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Descriptor Annotations

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