(2S,3R)-2-methyl-3-phenylmethoxyazetidine

C11H15NO — CID 163409920

IUPAC(2S,3R)-2-methyl-3-phenylmethoxyazetidine
SMILESC[C@@H]1NC[C@H]1OCc1ccccc1
InChIInChI=1S/C11H15NO/c1-9-11(7-12-9)13-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m0/s1
InChIKeyQYCXFNQODGSKBY-GXSJLCMTSA-N
MW177.25 g/mol
LogP1.56
Rot. Bonds3

About (2S,3R)-2-methyl-3-phenylmethoxyazetidine

(2S,3R)-2-methyl-3-phenylmethoxyazetidine (PubChem CID 163409920) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S,3R)-2-methyl-3-phenylmethoxyazetidine.

Molecular Properties

Compound Name(2S,3R)-2-methyl-3-phenylmethoxyazetidine
PubChem CID163409920
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S,3R)-2-methyl-3-phenylmethoxyazetidine
SMILESC[C@@H]1NC[C@H]1OCc1ccccc1
InChIInChI=1S/C11H15NO/c1-9-11(7-12-9)13-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m0/s1
InChIKeyQYCXFNQODGSKBY-GXSJLCMTSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 91043089
4-methyl-3-phenylmethoxypiperidine
CID 102954119
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(2-methylcyclobutyl)oxymethylbenzene
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(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
(3R,4R,5R)-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 46783615
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
(2S,3S,4S)-3-hydroxy-4-phenylmethoxypyrrolidine-2-carboxylic acid
CID 71294747
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-3-phenylmethoxyazetidine?
The IUPAC name of (2S,3R)-2-methyl-3-phenylmethoxyazetidine (CID 163409920) is (2S,3R)-2-methyl-3-phenylmethoxyazetidine.
What is the SMILES notation for (2S,3R)-2-methyl-3-phenylmethoxyazetidine?
The canonical SMILES for (2S,3R)-2-methyl-3-phenylmethoxyazetidine is C[C@@H]1NC[C@H]1OCc1ccccc1.
What is the InChIKey of (2S,3R)-2-methyl-3-phenylmethoxyazetidine?
The InChIKey is QYCXFNQODGSKBY-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-11(7-12-9)13-8-10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3/t9-,11+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-3-phenylmethoxyazetidine?
(2S,3R)-2-methyl-3-phenylmethoxyazetidine has a molecular weight of 177.25 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-3-phenylmethoxyazetidine is sourced from PubChem (CID 163409920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).