[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium

C12H20NO+ — CID 2118938

IUPAC[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium
SMILESCC(C)C[NH2+]C[C@H](O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)8-13-9-12(14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/p+1/t12-/m0/s1
InChIKeyUERFLMOOWGTPDV-LBPRGKRZSA-O
MW194.30 g/mol
LogP0.94
Rot. Bonds5

About [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium

[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium (PubChem CID 2118938) has the molecular formula C12H20NO+ and a molecular weight of 194.30 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium
PubChem CID2118938
Molecular FormulaC12H20NO+
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium
SMILESCC(C)C[NH2+]C[C@H](O)c1ccccc1
InChIInChI=1S/C12H19NO/c1-10(2)8-13-9-12(14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/p+1/t12-/m0/s1
InChIKeyUERFLMOOWGTPDV-LBPRGKRZSA-O
XLogP0.94
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
CID 2102131
5-methyl-1-phenylhexan-1-ol
CID 10997859
(4R)-1-phenylpentane-1,4-diol
CID 13204353
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium
CID 2455381
2-(2-methylpropylamino)-1-phenylethanol
CID 3939463
[(2R)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623097
[(2S)-2-hydroxy-2-phenylethyl]-(thiophen-3-ylmethyl)azanium
CID 8623092
1-phenylpropan-1-ol;hydrate
CID 156782934
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
2-[amino(2-methylpropyl)amino]-1-phenylethanol
CID 21361101
[(2R)-2-hydroxy-2-phenylethyl]-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102096
[(2S)-2-hydroxy-2-phenylethyl]-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]azanium
CID 2102100

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium?
The IUPAC name of [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium (CID 2118938) is [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium.
What is the SMILES notation for [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium?
The canonical SMILES for [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium is CC(C)C[NH2+]C[C@H](O)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium?
The InChIKey is UERFLMOOWGTPDV-LBPRGKRZSA-O. The full InChI is InChI=1S/C12H19NO/c1-10(2)8-13-9-12(14)11-6-4-3-5-7-11/h3-7,10,12-14H,8-9H2,1-2H3/p+1/t12-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium?
[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium has a molecular weight of 194.30 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium is sourced from PubChem (CID 2118938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).