(2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol

C19H23NO2 — CID 15094661

IUPAC(2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol
SMILESC[C@@H](CO)N1C[C@H](OCc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(13-21)20-12-18(19(20)17-10-6-3-7-11-17)22-14-16-8-4-2-5-9-16/h2-11,15,18-19,21H,12-14H2,1H3/t15-,18-,19-/m0/s1
InChIKeyAAPXTJBJENVHLY-SNRMKQJTSA-N
MW297.40 g/mol
LogP3.01
Rot. Bonds6

About (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol

(2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol (PubChem CID 15094661) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol
PubChem CID15094661
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol
SMILESC[C@@H](CO)N1C[C@H](OCc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C19H23NO2/c1-15(13-21)20-12-18(19(20)17-10-6-3-7-11-17)22-14-16-8-4-2-5-9-16/h2-11,15,18-19,21H,12-14H2,1H3/t15-,18-,19-/m0/s1
InChIKeyAAPXTJBJENVHLY-SNRMKQJTSA-N
XLogP3.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol with MolForge

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Related Compounds

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CID 5370611
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2-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-2-phenylethanol
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1-(2-Methoxy-1-phenylethyl)-4-phenylpiperidin-4-ol
CID 44426816
1-[Benzyl(ethyl)amino]-3-phenylmethoxypropan-2-ol
CID 44427649
1-Methyl-3-phenyl-3-phenylmethoxyazetidine;hydrochloride
CID 71727991
3-(1,1-Dimethylethyl)-2-phenyloxazolidine-5-methanol
CID 108810
3-[Benzyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 59570682
3,4-Dimethyl-2,5-diphenyl-1,3-oxazolidine
CID 434347

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol (CID 15094661) is (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol is C[C@@H](CO)N1C[C@H](OCc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol?
The InChIKey is AAPXTJBJENVHLY-SNRMKQJTSA-N. The full InChI is InChI=1S/C19H23NO2/c1-15(13-21)20-12-18(19(20)17-10-6-3-7-11-17)22-14-16-8-4-2-5-9-16/h2-11,15,18-19,21H,12-14H2,1H3/t15-,18-,19-/m0/s1.
What are the key properties of (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol?
(2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol has a molecular weight of 297.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,3S)-2-phenyl-3-phenylmethoxyazetidin-1-yl]propan-1-ol is sourced from PubChem (CID 15094661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).