(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine

C17H19NO — CID 54001693

IUPAC(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
SMILESc1ccc(COC[C@H]2CN2Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-15(8-4-1)11-18-12-17(18)14-19-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-,18?/m1/s1
InChIKeyKMBKZIGUAFQVGM-QNSVNVJESA-N
MW253.35 g/mol
LogP3.09
Rot. Bonds6

About (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine

(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine (PubChem CID 54001693) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
PubChem CID54001693
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
SMILESc1ccc(COC[C@H]2CN2Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO/c1-3-7-15(8-4-1)11-18-12-17(18)14-19-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-,18?/m1/s1
InChIKeyKMBKZIGUAFQVGM-QNSVNVJESA-N
XLogP3.09
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,5R)-1-benzyl-2,5-bis(phenylmethoxymethyl)pyrrolidine
CID 10501247
[4-benzyl-5-(phenylmethoxymethyl)morpholin-2-yl]methanol
CID 171373496
(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine
CID 139578462
4-benzyl-3-(phenylmethoxymethyl)-1,4-thiazinane 1,1-dioxide
CID 53253656
(2R,3S,4S,5R)-1-benzyl-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)piperidine
CID 124545934
(2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylic acid
CID 126651453
(2R)-2-(phenylmethoxymethyl)-1-tritylaziridine
CID 71714058
(3S,4S,5S,6R,7S)-1-benzyl-4,5,6-tris(phenylmethoxy)-7-(phenylmethoxymethyl)azepan-3-ol
CID 135009168
1-benzyl-2-[(3-chlorophenoxy)methyl]aziridine
CID 86236377
2-(phenylmethoxymethyl)thiirane
CID 12015177
ethyl 2-[(2R)-4-benzyl-2-(phenylmethoxymethyl)piperazin-1-yl]acetate
CID 58007099
1-benzyl-2-[[4-[2-[4-[(1-benzylaziridin-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]aziridine
CID 137491895

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine?
The IUPAC name of (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine (CID 54001693) is (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine.
What is the SMILES notation for (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine?
The canonical SMILES for (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine is c1ccc(COC[C@H]2CN2Cc2ccccc2)cc1.
What is the InChIKey of (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine?
The InChIKey is KMBKZIGUAFQVGM-QNSVNVJESA-N. The full InChI is InChI=1S/C17H19NO/c1-3-7-15(8-4-1)11-18-12-17(18)14-19-13-16-9-5-2-6-10-16/h1-10,17H,11-14H2/t17-,18?/m1/s1.
What are the key properties of (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine?
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine has a molecular weight of 253.35 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine is sourced from PubChem (CID 54001693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).