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2D Structure
Also known as: 1860-67-9, 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]-1-propanone, 1-propanone, 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]-, Dtxsid60865753, 1-[4-(benzyloxy)phenyl]-2-[(1-phenoxypropan-2-yl)amino]propan-1-one
Molecular Formula
C25H27NO3
Molecular Weight
389.5  g/mol
InChI Key
HFVZRDLXEWWXDI-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-(1-phenoxypropan-2-ylamino)-1-(4-phenylmethoxyphenyl)propan-1-one
2.1.2 InChI
InChI=1S/C25H27NO3/c1-19(17-28-23-11-7-4-8-12-23)26-20(2)25(27)22-13-15-24(16-14-22)29-18-21-9-5-3-6-10-21/h3-16,19-20,26H,17-18H2,1-2H3
2.1.3 InChI Key
HFVZRDLXEWWXDI-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(COC1=CC=CC=C1)NC(C)C(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1860-67-9

2. 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]-1-propanone

3. 1-propanone, 2-[(1-methyl-2-phenoxyethyl)amino]-1-[4-(phenylmethoxy)phenyl]-

4. Dtxsid60865753

5. 1-[4-(benzyloxy)phenyl]-2-[(1-phenoxypropan-2-yl)amino]propan-1-one

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 389.5 g/mol
Molecular Formula C25H27NO3
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area47.6
Heavy Atom Count29
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1