3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride

C19H24ClNO3 — CID 122190796

IUPAC3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)CCN[C@H](C)[C@@H](O)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15;/h3-11,14,19-20,22H,12-13H2,1-2H3;1H/t14-,19-;/m1./s1
InChIKeyXJPNFMSOPGNWFQ-HNJSCFAESA-N
MW349.86 g/mol
LogP3.40
Rot. Bonds8

About 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride

3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride (PubChem CID 122190796) has the molecular formula C19H24ClNO3 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
PubChem CID122190796
Molecular FormulaC19H24ClNO3
Molecular Weight349.86 g/mol
Exact Mass349.14
IUPAC Name3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)CCN[C@H](C)[C@@H](O)c2ccccc2)cc1.Cl
InChIInChI=1S/C19H23NO3.ClH/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15;/h3-11,14,19-20,22H,12-13H2,1-2H3;1H/t14-,19-;/m1./s1
InChIKeyXJPNFMSOPGNWFQ-HNJSCFAESA-N
XLogP3.40
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride with MolForge

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Related Compounds

3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one;hydrochloride
CID 5492951
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
3-[[(1R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(3-methoxyphenyl)propan-1-one
CID 6321246
1-(3-hydroxyphenyl)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]propan-1-one;hydrochloride
CID 122190812
2-[[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-1-phenylpropan-1-ol
CID 110174261
3-[(1-hydroxy-1-phenylpropan-2-yl)amino]propanoic acid
CID 4299373
(1S,2S)-2-[(4-methoxyphenyl)methylamino]-1-phenylpropan-1-ol
CID 10912623
N-[3-[3-[[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]amino]propanoyl]phenyl]-3-methylbut-2-enamide
CID 110179843
1-(4-methoxyphenyl)-2-(1-phenylethylamino)ethanone
CID 82104513
3-anilino-1-(4-methoxyphenyl)propan-1-one
CID 766931
1-(3,4-dimethoxyphenyl)-3-[[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]propan-1-one
CID 110174775
3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]-1-(4-methylphenyl)propan-1-one
CID 12625681

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride (CID 122190796) is 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride is COc1ccc(C(=O)CCN[C@H](C)[C@@H](O)c2ccccc2)cc1.Cl.
What is the InChIKey of 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is XJPNFMSOPGNWFQ-HNJSCFAESA-N. The full InChI is InChI=1S/C19H23NO3.ClH/c1-14(19(22)16-6-4-3-5-7-16)20-13-12-18(21)15-8-10-17(23-2)11-9-15;/h3-11,14,19-20,22H,12-13H2,1-2H3;1H/t14-,19-;/m1./s1.
What are the key properties of 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 349.86 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-(4-methoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 122190796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).