Dapoxetine Impurity F

CAT: 1299-RM-D162406-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-D162406-01Size:10 mg

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CAS Number

119357-18-5

Synonyms

N-methyl-3- (naphthalen-1-yloxy) -1-phenylpropan-1-amine

Molecular Formula

C20H21NO

Molecular Weight

291.39

Target Alternative Name

Dapoxetine

Product Name Synonym

N-methyl-3- (naphthalen-1-yloxy) -1-phenylpropan-1-amine

Chemical Information

rac N-Demethyl Dapoxetine

CAS Number	119357-18-5
PubChem CID	11779061
IUPAC Name	N-methyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine
Molecular Formula	C20H21NO
Molecular Weight	291.4
XLogP	4.6
Topological Polar Surface Area	21.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	22
Formal Charge	0
Complexity	313

SMILES

CNC(CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO/c1-21-19(17-9-3-2-4-10-17)14-15-22-20-13-7-11-16-8-5-6-12-18(16)20/h2-13,19,21H,14-15H2,1H3

InChIKey

SCPPXXMPTQHFGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119357-18-5

CID: 11779061

Formula: C20H21NO

MW: 291.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.4
XLogP3	4.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	291.162314293
Monoisotopic Mass	291.162314293
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	313
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