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

C10H16NO+ — CID 6922965

IUPAC[(1R,2S)-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-/m0/s1
InChIKeyKWGRBVOPPLSCSI-WPRPVWTQSA-O
MW166.24 g/mol
LogP0.30
Rot. Bonds3

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

[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium (PubChem CID 6922965) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium.

Molecular Properties

Compound Name[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
PubChem CID6922965
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name[(1R,2S)-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-/m0/s1
InChIKeyKWGRBVOPPLSCSI-WPRPVWTQSA-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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Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The IUPAC name of [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium (CID 6922965) is [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium.
What is the SMILES notation for [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The canonical SMILES for [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium is C[NH2+][C@@H](C)[C@H](O)c1ccccc1.
What is the InChIKey of [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
The InChIKey is KWGRBVOPPLSCSI-WPRPVWTQSA-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-/m0/s1.
What are the key properties of [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium?
[(1R,2S)-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 [(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium is sourced from PubChem (CID 6922965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).