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400749-14-6

400749-14-6 structural image
Product Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[2,2-dimethyl-4-(4-methylphenyl)oxan-4-yl]ethanamine
Formula: C25H35NO3
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COMPUTED DESCRIPTORS

Molecular Weight 397.5 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 8
Exact Mass 397.26169398 g/mol
Monoisotopic Mass 397.26169398 g/mol
Topological Polar Surface Area 39.7 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 489
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes