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P-Phenetidine, 3-methoxy-alpha-phenoxy-

CAT: 0013-GTR19222892-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222892-01Size:100 mg
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Description
This compound, 3-methoxy-alpha-phenoxy-p-phenetidine, is a small molecule therapeutic agent for research use. It is utilized in pharmacological studies, serving as a chemical tool for in vitro assays and investigative research within medicinal chemistry and drug discovery.
CAS Number
15382-86-2
Smiles
COc1cc (N) ccc1OCCOc1ccccc1
Molecular Formula
C15H17NO3
Molecular Weight
259.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Methoxy-4-(1-phenoxyethoxy)aniline
CAS Number15382-86-2
PubChem CID203860
IUPAC Name3-methoxy-4-(1-phenoxyethoxy)aniline
Molecular FormulaC15H17NO3
Molecular Weight259.30
XLogP3.4
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity256
SMILES
CC(OC1=CC=CC=C1)OC2=C(C=C(C=C2)N)OC
InChI
InChI=1S/C15H17NO3/c1-11(18-13-6-4-3-5-7-13)19-14-9-8-12(16)10-15(14)17-2/h3-11H,16H2,1-2H3
InChIKey
FDMDFGIHEKPQTE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methoxy-4-(1-phenoxyethoxy)aniline
CAS: 15382-86-2
CID: 203860
Formula: C15H17NO3
MW: 259.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.30
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass259.12084340
Monoisotopic Mass259.12084340
Topological Polar Surface Area53.7 Ų
Heavy Atom Count19
Formal Charge0
Complexity256
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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