(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine

C29H27NO — CID 71714058

IUPAC(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
SMILESc1ccc(COC[C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H27NO/c1-5-13-24(14-6-1)22-31-23-28-21-30(28)29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2/t28-,30?/m1/s1
InChIKeyYWNDBHAXWJEAIP-KFMIKNBQSA-N
MW405.54 g/mol
LogP5.88
Rot. Bonds8

About (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine

(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine (PubChem CID 71714058) has the molecular formula C29H27NO and a molecular weight of 405.54 g/mol. Its IUPAC name is (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine.

Molecular Properties

Compound Name(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
PubChem CID71714058
Molecular FormulaC29H27NO
Molecular Weight405.54 g/mol
Exact Mass405.21
IUPAC Name(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
SMILESc1ccc(COC[C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C29H27NO/c1-5-13-24(14-6-1)22-31-23-28-21-30(28)29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2/t28-,30?/m1/s1
InChIKeyYWNDBHAXWJEAIP-KFMIKNBQSA-N
XLogP5.88
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
(2R,3R)-2-phenyl-3-(phenylmethoxymethyl)-1-tritylaziridine
CID 102054848
(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
benzyl 1-tritylaziridine-2-carboxylate
CID 13191985
(2S)-1-[(1S)-1-phenylethyl]-2-(phenylmethoxymethyl)aziridine
CID 10869250
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
(2S)-4-hydroxy-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylic acid
CID 155211250
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
2-(phenylmethoxymethyl)thiirane
CID 12015177
(2R)-2-(phenylmethoxymethyl)aziridine
CID 101263543
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
[1-methylsulfonyl-6-(phenylmethoxymethyl)piperidin-3-yl]methanol
CID 22671789

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine?
The IUPAC name of (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine (CID 71714058) is (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine.
What is the SMILES notation for (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine?
The canonical SMILES for (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine is c1ccc(COC[C@H]2CN2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine?
The InChIKey is YWNDBHAXWJEAIP-KFMIKNBQSA-N. The full InChI is InChI=1S/C29H27NO/c1-5-13-24(14-6-1)22-31-23-28-21-30(28)29(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20,28H,21-23H2/t28-,30?/m1/s1.
What are the key properties of (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine?
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine has a molecular weight of 405.54 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phenylmethoxymethyl)-1-tritylaziridine is sourced from PubChem (CID 71714058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).