Free Chemical Databases
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[Synonyms]
N-IIP
N-Isopropyl-4-iodophentermine
108708-53-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 317.20907 [g/mol] Molecular Formula C13H20IN XLogP 4.5 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 4 Exact Mass 317.064043 MonoIsotopic Mass 317.064043 Topological Polar Surface Area 12 Heavy Atom Count 15 Formal Charge 0 Complexity 181 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: 1-(4-iodophenyl)-2-methyl-N-propan-2-ylpropan-2-amine
Canonical SMILES: CC(C)NC(C)(C)CC1=CC=C(C=C1)I
InChI: InChI=1/C13H20IN/c1-10(2)15-13(3,4)9-11-5-7-12(14)8-6-11/h5-8,10,15H,
9H2,1-4H3
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