[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium

C16H20NO+ — CID 2102131

IUPAC[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h2-11,13,16-18H,12H2,1H3/p+1/t13-,16+/m1/s1
InChIKeyVKWJLDQFNZKCCM-CJNGLKHVSA-O
MW242.34 g/mol
LogP2.04
Rot. Bonds5

About [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium

[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium (PubChem CID 2102131) has the molecular formula C16H20NO+ and a molecular weight of 242.34 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
PubChem CID2102131
Molecular FormulaC16H20NO+
Molecular Weight242.34 g/mol
Exact Mass242.15
IUPAC Name[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium
SMILESC[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H19NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h2-11,13,16-18H,12H2,1H3/p+1/t13-,16+/m1/s1
InChIKeyVKWJLDQFNZKCCM-CJNGLKHVSA-O
XLogP2.04
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S)-2,3-dihydroxypropyl]-[(1S)-1-phenylethyl]azanium
CID 2102063
[(2R)-2-hydroxy-2-phenylethyl]-(2-methylpropyl)azanium
CID 2118938
[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7733701
(4R)-1-phenylpentane-1,4-diol
CID 13204353
2-(4-chlorophenyl)selanyl-1-phenylethanol
CID 134857500
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
[(2S)-3-(2-tert-butylphenoxy)-2-hydroxypropyl]-[(1R)-1-phenylethyl]azanium
CID 7482163
1-phenylpropane-1,3-diol
CID 572059
1-phenylpropan-1-ol;hydrate
CID 156782934
5-methyl-1-phenylhexan-1-ol
CID 10997859
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
cyclopropylmethyl-[(1S)-1-phenylethyl]azanium
CID 7241456

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium?
The IUPAC name of [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium (CID 2102131) is [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium.
What is the SMILES notation for [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium?
The canonical SMILES for [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium is C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium?
The InChIKey is VKWJLDQFNZKCCM-CJNGLKHVSA-O. The full InChI is InChI=1S/C16H19NO/c1-13(14-8-4-2-5-9-14)17-12-16(18)15-10-6-3-7-11-15/h2-11,13,16-18H,12H2,1H3/p+1/t13-,16+/m1/s1.
What are the key properties of [(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium?
[(2R)-2-hydroxy-2-phenylethyl]-[(1R)-1-phenylethyl]azanium has a molecular weight of 242.34 g/mol, XLogP of 2.04, 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]-[(1R)-1-phenylethyl]azanium is sourced from PubChem (CID 2102131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).