3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one

C19H23NO3 — CID 5489013

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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 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one

3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one (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 Name3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
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

Analyze 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one with MolForge

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Related Compounds

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CID 177583
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CID 5489012
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-phenylethyl]amino]propyl]phenyl]-2-methoxybenzoic acid
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3-methoxy-N-(4-phenylbutan-2-yl)benzamide
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3-Methoxymethcathinone
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2-(N-Cyclopentylamino)-3''-methoxypropiophenone
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1-[3-[3-(Cyclohexylmethylamino)-2-hydroxypropoxy]phenyl]ethanone
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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 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one (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 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one is COc1cccc(C(=O)CCN[C@@H](C)[C@H](O)c2ccccc2)c1.
What is the InChIKey of 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one?
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 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one?
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one 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 3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 5489013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).