(2S)-2-(phenylmethoxymethyl)azetidine

C11H15NO — CID 86324293

IUPAC(2S)-2-(phenylmethoxymethyl)azetidine
SMILESc1ccc(COC[C@@H]2CCN2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-11/h1-5,11-12H,6-9H2/t11-/m0/s1
InChIKeyIMXORLHSVQERNS-NSHDSACASA-N
MW177.25 g/mol
LogP1.57
Rot. Bonds4

About (2S)-2-(phenylmethoxymethyl)azetidine

(2S)-2-(phenylmethoxymethyl)azetidine (PubChem CID 86324293) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S)-2-(phenylmethoxymethyl)azetidine.

Molecular Properties

Compound Name(2S)-2-(phenylmethoxymethyl)azetidine
PubChem CID86324293
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S)-2-(phenylmethoxymethyl)azetidine
SMILESc1ccc(COC[C@@H]2CCN2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-11/h1-5,11-12H,6-9H2/t11-/m0/s1
InChIKeyIMXORLHSVQERNS-NSHDSACASA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
2-[(3-chlorophenyl)methoxymethyl]azetidine
CID 115070958
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
1-benzyl-3-(phenylmethoxymethyl)piperazine
CID 53395029
(2S,4S)-4-(fluoromethyl)-2-(phenylmethoxymethyl)pyrrolidine
CID 170298793
4-methoxy-2-(phenylmethoxymethyl)pyrrolidine
CID 22001421
[4-(pyrrolidin-2-ylmethoxymethyl)phenyl]methanol
CID 106937811
(2S)-2-[(4-methylphenyl)methoxymethyl]pyrrolidine
CID 35753990
(2S)-2-benzylazetidine;molecular hydrogen
CID 145023089
(2S)-2-[(3-chlorophenyl)methoxymethyl]pyrrolidine
CID 35754000
2-[(3-bromophenyl)methoxymethyl]pyrrolidine
CID 62333428

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylmethoxymethyl)azetidine?
The IUPAC name of (2S)-2-(phenylmethoxymethyl)azetidine (CID 86324293) is (2S)-2-(phenylmethoxymethyl)azetidine.
What is the SMILES notation for (2S)-2-(phenylmethoxymethyl)azetidine?
The canonical SMILES for (2S)-2-(phenylmethoxymethyl)azetidine is c1ccc(COC[C@@H]2CCN2)cc1.
What is the InChIKey of (2S)-2-(phenylmethoxymethyl)azetidine?
The InChIKey is IMXORLHSVQERNS-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-13-9-11-6-7-12-11/h1-5,11-12H,6-9H2/t11-/m0/s1.
What are the key properties of (2S)-2-(phenylmethoxymethyl)azetidine?
(2S)-2-(phenylmethoxymethyl)azetidine has a molecular weight of 177.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(phenylmethoxymethyl)azetidine is sourced from PubChem (CID 86324293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).