[(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium

C12H20NO+ — CID 6954872

IUPAC[(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]C[C@](C)(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)13-9-12(3,14)11-7-5-4-6-8-11/h4-8,10,13-14H,9H2,1-3H3/p+1/t12-/m0/s1
InChIKeyPTOQHMDUZFGLGH-LBPRGKRZSA-O
MW194.30 g/mol
LogP0.87
Rot. Bonds4

About [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium

[(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium (PubChem CID 6954872) has the molecular formula C12H20NO+ and a molecular weight of 194.30 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium
PubChem CID6954872
Molecular FormulaC12H20NO+
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name[(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium
SMILESCC(C)[NH2+]C[C@](C)(O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)13-9-12(3,14)11-7-5-4-6-8-11/h4-8,10,13-14H,9H2,1-3H3/p+1/t12-/m0/s1
InChIKeyPTOQHMDUZFGLGH-LBPRGKRZSA-O
XLogP0.87
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium?
The IUPAC name of [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium (CID 6954872) is [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium.
What is the SMILES notation for [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium?
The canonical SMILES for [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium is CC(C)[NH2+]C[C@](C)(O)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium?
The InChIKey is PTOQHMDUZFGLGH-LBPRGKRZSA-O. The full InChI is InChI=1S/C12H19NO/c1-10(2)13-9-12(3,14)11-7-5-4-6-8-11/h4-8,10,13-14H,9H2,1-3H3/p+1/t12-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium?
[(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium has a molecular weight of 194.30 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-phenylpropyl]-propan-2-ylazanium is sourced from PubChem (CID 6954872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).