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1-(2,5-dimethoxyphenyl)-3-dimethylamino-1-phenylbutan-1-ol,Canonical

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摘 要: 1-(2,5-dimethoxyphenyl)-3-dimethylamino-1-phenylbutan-1-ol,Canonical SMILES: CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)N(C)C,InChI: InChI=1/C20H27NO3/c1-15(21(2)3)14-20(22,,16-9-7-6-8-10-16)18-13-17(23-4)11-12-19(18)24-5/h6-13,15,22H,14H2,1-5H3,Molec
[Synonyms]

[Structure]
 1-(2,5-dimethoxyphenyl)-3-dimethylamino-1-phenylbutan-1-ol,Canonical

[ Properties Computed from Structure]
Molecular Weight329.43328 [g/mol]
Molecular FormulaC20H27NO3
XLogP3.4
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count7
Exact Mass329.199094
MonoIsotopic Mass329.199094
Topological Polar Surface Area41.9
Heavy Atom Count24
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count2
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 1-(2,5-dimethoxyphenyl)-3-dimethylamino-1-phenylbutan-1-ol
Canonical SMILES: CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)N(C)C
InChI: InChI=1/C20H27NO3/c1-15(21(2)3)14-20(22,
16-9-7-6-8-10-16)18-13-17(23-4)11-12-19(18)24-5/h6-13,15,22H,14H2,1-5H3

 
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