Free Chemical Databases
-
[Synonyms]
NSC155598
[Structure]
[ Properties Computed from Structure]
Molecular Weight 217.3299 [g/mol] Molecular Formula C13H15NS XLogP 3.1 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 3 Exact Mass 217.09252 MonoIsotopic Mass 217.09252 Topological Polar Surface Area 12 Heavy Atom Count 15 Formal Charge 0 Complexity 197 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-(2-thiophen-2-ylpropan-2-yl)aniline
Canonical SMILES: CC(C)(C1=CC=CS1)NC2=CC=CC=C2
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
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