2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium

C12H20NO2+ — CID 6955056

IUPAC2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SMILESC[C@@H]([C@H](O)c1ccccc1)[NH+](C)CCO
InChIInChI=1S/C12H19NO2/c1-10(13(2)8-9-14)12(15)11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3/p+1/t10-,12-/m0/s1
InChIKeyDZUDAROQGILUTD-JQWIXIFHSA-O
MW210.30 g/mol
LogP-0.38
Rot. Bonds5

About 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium

2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium (PubChem CID 6955056) has the molecular formula C12H20NO2+ and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium.

Molecular Properties

Compound Name2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
PubChem CID6955056
Molecular FormulaC12H20NO2+
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SMILESC[C@@H]([C@H](O)c1ccccc1)[NH+](C)CCO
InChIInChI=1S/C12H19NO2/c1-10(13(2)8-9-14)12(15)11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3/p+1/t10-,12-/m0/s1
InChIKeyDZUDAROQGILUTD-JQWIXIFHSA-O
XLogP-0.38
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium
CID 7059595
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
CID 159196107
bis([(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium);iodide;triiodide
CID 139144484
[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-dimethylazanium
CID 173093688
(1S,2R)-2-amino-1-phenylpropan-1-ol
CID 26934
1,2-diphenylethane-1,2-diol
CID 159073808
(1R,2R)-4-methyl-1,2-diphenylpentan-1-ol
CID 6976778
2-[ethyl(methyl)amino]-1-phenylpropan-1-ol
CID 10734
(1S)-2-[2-[[(1S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]ethyl-methylamino]-1-phenylpropan-1-ol
CID 102595877
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
(2S)-2-chloro-1-phenylpropan-1-ol
CID 146730708

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The IUPAC name of 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium (CID 6955056) is 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium.
What is the SMILES notation for 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The canonical SMILES for 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium is C[C@@H]([C@H](O)c1ccccc1)[NH+](C)CCO.
What is the InChIKey of 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The InChIKey is DZUDAROQGILUTD-JQWIXIFHSA-O. The full InChI is InChI=1S/C12H19NO2/c1-10(13(2)8-9-14)12(15)11-6-4-3-5-7-11/h3-7,10,12,14-15H,8-9H2,1-2H3/p+1/t10-,12-/m0/s1.
What are the key properties of 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium has a molecular weight of 210.30 g/mol, XLogP of -0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium is sourced from PubChem (CID 6955056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).