(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine

C19H23NO — CID 139578462

IUPAC(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine
SMILESC[C@@H]1[C@@H](COCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16-19(15-21-14-18-10-6-3-7-11-18)13-20(16)12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3/t16-,19-/m1/s1
InChIKeyWFAUSYBFJHGLHE-VQIMIIECSA-N
MW281.40 g/mol
LogP3.72
Rot. Bonds6

About (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine

(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine (PubChem CID 139578462) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine.

Molecular Properties

Compound Name(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine
PubChem CID139578462
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine
SMILESC[C@@H]1[C@@H](COCc2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C19H23NO/c1-16-19(15-21-14-18-10-6-3-7-11-18)13-20(16)12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3/t16-,19-/m1/s1
InChIKeyWFAUSYBFJHGLHE-VQIMIIECSA-N
XLogP3.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylic acid
CID 126651453
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
tert-butyl (2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylate
CID 140904864
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(3R,4S,5S)-1-benzyl-4,5-dimethylpyrrolidin-3-ol
CID 118651472
(2S,5S)-1-[(4-fluorophenyl)methyl]-2-methyl-5-(phenylmethoxymethyl)piperazine
CID 58683736
(3S,4S,5S,6R,7S)-1-benzyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)azepan-3-ol
CID 135009168
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
[(1R,2R)-2-tert-butylcyclopropyl]methoxymethylbenzene
CID 10878630
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
2-[(3R,4R,5S)-1-benzyl-5-methyl-4-(methylamino)pyrrolidin-3-yl]ethanol
CID 100988546
1-benzyl-2-methyl-3-phenylmethoxypyrrolidine
CID 68728414

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine?
The IUPAC name of (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine (CID 139578462) is (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine.
What is the SMILES notation for (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine?
The canonical SMILES for (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine is C[C@@H]1[C@@H](COCc2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine?
The InChIKey is WFAUSYBFJHGLHE-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23NO/c1-16-19(15-21-14-18-10-6-3-7-11-18)13-20(16)12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3/t16-,19-/m1/s1.
What are the key properties of (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine?
(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine has a molecular weight of 281.40 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine is sourced from PubChem (CID 139578462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).