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Oxyfedrine

C19H23NO3 — CID 5489013

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1
InChIInChI=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
InChIKeyGDYUVHBMFVMBAF-LIRRHRJNSA-N
MW313.40 g/mol
LogP2.98
Rot. Bonds8

About Oxyfedrine

Oxyfedrine (PubChem CID 5489013) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound NameOxyfedrine
PubChem CID5489013
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1
InChIInChI=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
InChIKeyGDYUVHBMFVMBAF-LIRRHRJNSA-N
XLogP2.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Propanone, 3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-(3-methoxyphenyl)-, hydrochloride (1:1)
CID 5489012
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]-2-methoxybenzoic acid
CID 24895359
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
3-Methoxymethcathinone
CID 82281626
2-(N-Cyclopentylamino)-3''-methoxypropiophenone
CID 45141608
1-[3-[3-(Cyclohexylmethylamino)-2-hydroxypropoxy]phenyl]ethanone
CID 4796479
N-[2-(4-Carbomethoxy-2-methoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-trifluoromethylphenyl)ethanamine
CID 20501356
2-(Tert-butylamino)-1-(3-methoxyphenyl)propan-1-one
CID 45141377
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 6482976
3-[1-Hydroxy-2-(methylamino)ethyl]phenyl 2-methylbenzoate
CID 6603576
Methyl 4-[2-[[2-hydroxy-2-[3-(trifluoromethoxy)phenyl]ethyl]amino]propyl]benzoate;hydrobromide
CID 44522726

Frequently Asked Questions

What is the IUPAC name of Oxyfedrine?
The IUPAC name of Oxyfedrine (CID 5489013) is 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for Oxyfedrine?
The canonical SMILES for Oxyfedrine is COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1.
What is the InChIKey of Oxyfedrine?
The InChIKey is GDYUVHBMFVMBAF-LIRRHRJNSA-N. The full InChI is 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.
What are the key properties of Oxyfedrine?
Oxyfedrine has a molecular weight of 313.40 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Oxyfedrine is sourced from PubChem (CID 5489013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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