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

C10H16NO+ — CID 6922967

IUPAC[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SMILESC[NH2+][C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m1/s1
InChIKeyKWGRBVOPPLSCSI-PSASIEDQSA-O
MW166.24 g/mol
LogP0.30
Rot. Bonds3

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

[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium (PubChem CID 6922967) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
PubChem CID6922967
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
SMILESC[NH2+][C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m1/s1
InChIKeyKWGRBVOPPLSCSI-PSASIEDQSA-O
XLogP0.30
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-hydroxy-2-phenylacetate;[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 10925171
1,2-diphenylethane-1,2-diol
CID 159073808
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
(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
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-prop-2-ynylazanium
CID 7331312
2-fluoroethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110174078
2-methyl-1-phenylhexane-1,5-diol
CID 104846103
(1S)-1-phenylethanol
CID 157125626
benzene;2-phenylethane-1,1,2-triol
CID 174439943
2-cyanoethyl-(1-hydroxy-1-phenylpropan-2-yl)azanium chloride
CID 110178076

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The IUPAC name of [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium (CID 6922967) is [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium.
What is the SMILES notation for [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The canonical SMILES for [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium is C[NH2+][C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The InChIKey is KWGRBVOPPLSCSI-PSASIEDQSA-O. The full InChI is InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/p+1/t8-,10-/m1/s1.
What are the key properties of [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium has a molecular weight of 166.24 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium is sourced from PubChem (CID 6922967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).