[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium

C23H26NO2+ — CID 7311571

IUPAC[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
SMILESC[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H25NO2/c1-18(23(25)21-12-6-3-7-13-21)24-16-20-11-8-14-22(15-20)26-17-19-9-4-2-5-10-19/h2-15,18,23-25H,16-17H2,1H3/p+1/t18-,23+/m0/s1
InChIKeyPYOXLNRAYGCQDI-FDDCHVKYSA-O
MW348.47 g/mol
LogP3.45
Rot. Bonds8

About [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium

[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium (PubChem CID 7311571) has the molecular formula C23H26NO2+ and a molecular weight of 348.47 g/mol. Its IUPAC name is [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
PubChem CID7311571
Molecular FormulaC23H26NO2+
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Name[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
SMILESC[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H25NO2/c1-18(23(25)21-12-6-3-7-13-21)24-16-20-11-8-14-22(15-20)26-17-19-9-4-2-5-10-19/h2-15,18,23-25H,16-17H2,1H3/p+1/t18-,23+/m0/s1
InChIKeyPYOXLNRAYGCQDI-FDDCHVKYSA-O
XLogP3.45
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium
CID 7390028
[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311627
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
CID 110185098
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8637284
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
CID 21288530
(3,5-dimethoxyphenyl)-(3-phenylmethoxyphenyl)methanol
CID 69204493
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
(4-methylphenyl)methyl-[(3-phenylmethoxyphenyl)methyl]azanium
CID 8635403
[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(4-methylphenyl)propyl]azanium chloride
CID 110185128
1-phenyl-2-[(3-phenylmethoxyphenyl)methylamino]ethanol
CID 4720510

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium?
The IUPAC name of [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium (CID 7311571) is [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium.
What is the SMILES notation for [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium?
The canonical SMILES for [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium is C[C@H]([NH2+]Cc1cccc(OCc2ccccc2)c1)[C@@H](O)c1ccccc1.
What is the InChIKey of [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium?
The InChIKey is PYOXLNRAYGCQDI-FDDCHVKYSA-O. The full InChI is InChI=1S/C23H25NO2/c1-18(23(25)21-12-6-3-7-13-21)24-16-20-11-8-14-22(15-20)26-17-19-9-4-2-5-10-19/h2-15,18,23-25H,16-17H2,1H3/p+1/t18-,23+/m0/s1.
What are the key properties of [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium?
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium has a molecular weight of 348.47 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7311571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).