Free Chemical Databases
-
[Synonyms]
NSC367112
[Structure]
[ Properties Computed from Structure]
Molecular Weight 249.35016 [g/mol] Molecular Formula C18H19N XLogP 5 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 4 Exact Mass 249.15175 MonoIsotopic Mass 249.15175 Topological Polar Surface Area 12.4 Heavy Atom Count 19 Formal Charge 0 Complexity 302 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: N-(2-methyl-4-phenylbut-3-en-2-yl)-1-phenylmethanimine
Canonical SMILES: CC(C)(C=CC1=CC=CC=C1)N=CC2=CC=CC=C2
InChI: InChI=1/C18H19N/c1-18(2,
14-13-16-9-5-3-6-10-16)19-15-17-11-7-4-8-12-17/h3-15H,1-2H3/b14-13u,
19-15+
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