[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium

C23H26NO2+ — CID 7390028

IUPAC[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H25NO2/c1-18(23(25)21-10-6-3-7-11-21)24-16-19-12-14-22(15-13-19)26-17-20-8-4-2-5-9-20/h2-15,18,23-25H,16-17H2,1H3/p+1/t18-,23-/m1/s1
InChIKeyBYJGOCWNKCACRL-WZONZLPQSA-O
MW348.47 g/mol
LogP3.45
Rot. Bonds8

About [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium

[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium (PubChem CID 7390028) has the molecular formula C23H26NO2+ and a molecular weight of 348.47 g/mol. Its IUPAC name is [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium.

Molecular Properties

Compound Name[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium
PubChem CID7390028
Molecular FormulaC23H26NO2+
Molecular Weight348.47 g/mol
Exact Mass348.20
IUPAC Name[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium
SMILESC[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)c1ccccc1
InChIInChI=1S/C23H25NO2/c1-18(23(25)21-10-6-3-7-11-21)24-16-19-12-14-22(15-13-19)26-17-20-8-4-2-5-9-20/h2-15,18,23-25H,16-17H2,1H3/p+1/t18-,23-/m1/s1
InChIKeyBYJGOCWNKCACRL-WZONZLPQSA-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

Analyze [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(4-chlorophenyl)methoxy]phenyl]methyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7311627
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-[(3-phenylmethoxyphenyl)methyl]azanium
CID 7311571
[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(4-methylphenyl)propyl]azanium chloride
CID 110185128
3-(3,4-dimethoxyphenyl)propyl-[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]azanium chloride
CID 110185116
[4-(diethylamino)phenyl]methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 7345678
[1-hydroxy-1-(4-phenylmethoxyphenyl)propan-2-yl]-[3-(3-methoxyphenyl)propyl]azanium chloride
CID 110185098
(3-ethoxy-2-phenylmethoxyphenyl)methyl-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]azanium
CID 8637284
1-amino-2-(4-phenylmethoxyphenyl)ethane-1,2-diol
CID 70474392
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
4-bromo-1-(4-phenylmethoxyphenyl)butane-1,2-diol
CID 171893021
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium?
The IUPAC name of [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium (CID 7390028) is [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium.
What is the SMILES notation for [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium?
The canonical SMILES for [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium is C[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1)[C@@H](O)c1ccccc1.
What is the InChIKey of [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium?
The InChIKey is BYJGOCWNKCACRL-WZONZLPQSA-O. The full InChI is InChI=1S/C23H25NO2/c1-18(23(25)21-10-6-3-7-11-21)24-16-19-12-14-22(15-13-19)26-17-20-8-4-2-5-9-20/h2-15,18,23-25H,16-17H2,1H3/p+1/t18-,23-/m1/s1.
What are the key properties of [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium?
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-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,2R)-1-hydroxy-1-phenylpropan-2-yl]-[(4-phenylmethoxyphenyl)methyl]azanium is sourced from PubChem (CID 7390028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).