Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 415.56712 [g/mol] Molecular Formula C28H33NO2 XLogP 7.4 H-Bond Donor 0 H-Bond Acceptor 3 Rotatable Bond Count 10 Exact Mass 415.251129 MonoIsotopic Mass 415.251129 Topological Polar Surface Area 21.7 Heavy Atom Count 31 Formal Charge 0 Complexity 519 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,
N-diethyl-2-[4-[1-(4-methoxyphenyl)-2-phenylprop-1-enyl]phenoxy]
ethanamine
Canonical SMILES: CCN(CC)CCOC1=CC=C(C=C1)C(=C(C)C2=CC=CC=C2)C3=CC=C(C=C3)OC
InChI: InChI=1/C28H33NO2/c1-5-29(6-2)20-21-31-27-18-14-25(15-19-27)28(22(3)23-
10-8-7-9-11-23)24-12-16-26(30-4)17-13-24/h7-19H,5-6,20-21H2,1-4H3
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