2-(2-methylazetidin-1-yl)-2-phenylethanol

C12H17NO — CID 104549553

IUPAC2-(2-methylazetidin-1-yl)-2-phenylethanol
SMILESCC1CCN1C(CO)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10-7-8-13(10)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3
InChIKeyDPKNBEROIXJEGZ-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.81
Rot. Bonds3

About 2-(2-methylazetidin-1-yl)-2-phenylethanol

2-(2-methylazetidin-1-yl)-2-phenylethanol (PubChem CID 104549553) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-methylazetidin-1-yl)-2-phenylethanol.

Molecular Properties

Compound Name2-(2-methylazetidin-1-yl)-2-phenylethanol
PubChem CID104549553
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-methylazetidin-1-yl)-2-phenylethanol
SMILESCC1CCN1C(CO)c1ccccc1
InChIInChI=1S/C12H17NO/c1-10-7-8-13(10)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3
InChIKeyDPKNBEROIXJEGZ-UHFFFAOYSA-N
XLogP1.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[(2R,3R)-3-(hydroxymethyl)-2-methylpiperidin-1-yl]-2-phenylethanol
CID 143702380
(2S)-2-[(2S,3R)-3-(tert-butylamino)-2-methylpyrrolidin-1-yl]-2-phenylethanol
CID 10446176
(2R)-2-[(6R)-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-2-phenylethanol
CID 10680302
(2S)-2-[(2S)-2-ethylpiperidin-1-yl]-2-phenylethanol
CID 10609696
(2S)-2-phenyl-2-[(2S)-2-propylpiperidin-1-yl]ethanol
CID 10490739
(2R)-2-[(2S)-2-pentylpiperidin-1-yl]-2-phenylethanol
CID 10636143
2-(2-methylpiperazin-1-yl)-2-(3-phenoxyphenyl)ethanol
CID 83978303
(2R)-2-[(4S)-4-ethyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-2-phenylethanol
CID 42600019
(2S)-2-[(2R,5S)-2-methyl-5-prop-2-enylpyrrolidin-1-yl]-2-phenylethanol
CID 10776787
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
(2S)-2-[(2R,5S)-2,5-diphenylpyrrolidin-1-yl]-2-phenylethanol
CID 11089186
1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
CID 95027251

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylazetidin-1-yl)-2-phenylethanol?
The IUPAC name of 2-(2-methylazetidin-1-yl)-2-phenylethanol (CID 104549553) is 2-(2-methylazetidin-1-yl)-2-phenylethanol.
What is the SMILES notation for 2-(2-methylazetidin-1-yl)-2-phenylethanol?
The canonical SMILES for 2-(2-methylazetidin-1-yl)-2-phenylethanol is CC1CCN1C(CO)c1ccccc1.
What is the InChIKey of 2-(2-methylazetidin-1-yl)-2-phenylethanol?
The InChIKey is DPKNBEROIXJEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-10-7-8-13(10)12(9-14)11-5-3-2-4-6-11/h2-6,10,12,14H,7-9H2,1H3.
What are the key properties of 2-(2-methylazetidin-1-yl)-2-phenylethanol?
2-(2-methylazetidin-1-yl)-2-phenylethanol has a molecular weight of 191.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylazetidin-1-yl)-2-phenylethanol is sourced from PubChem (CID 104549553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).