2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium

C11H18NO2+ — CID 7033803

IUPAC2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium
SMILESC[C@@H](COc1ccccc1)[NH2+]CCO
InChIInChI=1S/C11H17NO2/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/p+1/t10-/m0/s1
InChIKeyRANHEEPQMBBPKB-JTQLQIEISA-O
MW196.27 g/mol
LogP0.01
Rot. Bonds6

About 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium

2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium (PubChem CID 7033803) has the molecular formula C11H18NO2+ and a molecular weight of 196.27 g/mol. Its IUPAC name is 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium.

Molecular Properties

Compound Name2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium
PubChem CID7033803
Molecular FormulaC11H18NO2+
Molecular Weight196.27 g/mol
Exact Mass196.13
IUPAC Name2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium
SMILESC[C@@H](COc1ccccc1)[NH2+]CCO
InChIInChI=1S/C11H17NO2/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/p+1/t10-/m0/s1
InChIKeyRANHEEPQMBBPKB-JTQLQIEISA-O
XLogP0.01
TPSA46.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

amino(1-phenoxypropan-2-yl)azanium
CID 20838095
ethane;1-phenoxypropan-2-ol
CID 90926921
3-methyl-2-(phenoxymethyl)butan-1-ol
CID 15214280
(2R,3S)-1-phenoxybutane-2,3-diol
CID 91247113
(2S,3R)-1-phenoxybutane-2,3-diol
CID 91592541
CID 142401703
CID 142401703
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
(2S)-2-methyl-3-phenoxypropanoic acid
CID 11367349
3-phenoxypropane-1,2-diol
CID 158587241
N,N-dimethyl-1,3-diphenoxypropan-2-amine
CID 141461197
3-phenoxypropane-1,2-diol
CID 10857
acetic acid;1-phenoxypropan-2-ol
CID 68567525

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium?
The IUPAC name of 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium (CID 7033803) is 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium.
What is the SMILES notation for 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium?
The canonical SMILES for 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium is C[C@@H](COc1ccccc1)[NH2+]CCO.
What is the InChIKey of 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium?
The InChIKey is RANHEEPQMBBPKB-JTQLQIEISA-O. The full InChI is InChI=1S/C11H17NO2/c1-10(12-7-8-13)9-14-11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3/p+1/t10-/m0/s1.
What are the key properties of 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium?
2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium has a molecular weight of 196.27 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-[(2S)-1-phenoxypropan-2-yl]azanium is sourced from PubChem (CID 7033803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).