[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium

C11H18NO+ — CID 7059595

IUPAC[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium
SMILESC[C@@H]([C@@H](O)c1ccccc1)[NH+](C)C
InChIInChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/p+1/t9-,11+/m0/s1
InChIKeyFMCGSUUBYTWNDP-GXSJLCMTSA-O
MW180.27 g/mol
LogP0.25
Rot. Bonds3

About [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium

[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium (PubChem CID 7059595) has the molecular formula C11H18NO+ and a molecular weight of 180.27 g/mol. Its IUPAC name is [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium.

Molecular Properties

Compound Name[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium
PubChem CID7059595
Molecular FormulaC11H18NO+
Molecular Weight180.27 g/mol
Exact Mass180.14
IUPAC Name[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium
SMILESC[C@@H]([C@@H](O)c1ccccc1)[NH+](C)C
InChIInChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/p+1/t9-,11+/m0/s1
InChIKeyFMCGSUUBYTWNDP-GXSJLCMTSA-O
XLogP0.25
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

bis([(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium);iodide;triiodide
CID 139144484
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium;2-methylbenzoate
CID 139144469
2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6955056
1,2-diphenylethane-1,2-diol
CID 159073808
[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-dimethylazanium
CID 173093688
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
[hydroxy(phenyl)methyl]-dimethylazanium chloride
CID 53446521
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
1,2-diphenylethane-1,2-diol;methanesulfonic acid
CID 57363902
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium?
The IUPAC name of [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium (CID 7059595) is [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium.
What is the SMILES notation for [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium?
The canonical SMILES for [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium is C[C@@H]([C@@H](O)c1ccccc1)[NH+](C)C.
What is the InChIKey of [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium?
The InChIKey is FMCGSUUBYTWNDP-GXSJLCMTSA-O. The full InChI is InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/p+1/t9-,11+/m0/s1.
What are the key properties of [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium?
[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium has a molecular weight of 180.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium is sourced from PubChem (CID 7059595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).