Oxyfedrine

CAT: 0926-FO170117-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-FO170117-02Size:2 mg

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CAS Number

15687-41-9

Smiles

C[C@@H] ([C@@H] (C1=CC=CC=C1) O) NCCC (=O) C2=CC (=CC=C2) OC

Molecular Formula

C19H23NO3

Molecular Weight

313.39 g/mol

Controlled

Chemical Information

(-)-Oxyfedrine

Oxyfedrine is an aromatic ketone.

CAS Number	15687-41-9
PubChem CID	5489013
IUPAC Name	3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
Molecular Formula	C19H23NO3
Molecular Weight	313.4
XLogP	2.4
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	23
Formal Charge	0
Complexity	355

SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)NCCC(=O)C2=CC(=CC=C2)OC

InChI

InChI=1S/C19H23NO3/c1-14(19(22)15-7-4-3-5-8-15)20-12-11-18(21)16-9-6-10-17(13-16)23-2/h3-10,13-14,19-20,22H,11-12H2,1-2H3/t14-,19-/m0/s1

InChIKey

GDYUVHBMFVMBAF-LIRRHRJNSA-N

Chemical Structure

2D Structure

CAS: 15687-41-9

CID: 5489013

Formula: C19H23NO3

MW: 313.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	313.4
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	313.16779360
Monoisotopic Mass	313.16779360
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	355
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes