(2R)-2-methyl-1-(2-phenoxyethyl)aziridine

C11H15NO — CID 122210723

IUPAC(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
SMILESC[C@@H]1CN1CCOc1ccccc1
InChIInChI=1S/C11H15NO/c1-10-9-12(10)7-8-13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-,12?/m1/s1
InChIKeyRHYFKDAZBMDGKM-RWANSRKNSA-N
MW177.25 g/mol
LogP1.77
Rot. Bonds4

About (2R)-2-methyl-1-(2-phenoxyethyl)aziridine

(2R)-2-methyl-1-(2-phenoxyethyl)aziridine (PubChem CID 122210723) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2R)-2-methyl-1-(2-phenoxyethyl)aziridine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
PubChem CID122210723
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2R)-2-methyl-1-(2-phenoxyethyl)aziridine
SMILESC[C@@H]1CN1CCOc1ccccc1
InChIInChI=1S/C11H15NO/c1-10-9-12(10)7-8-13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-,12?/m1/s1
InChIKeyRHYFKDAZBMDGKM-RWANSRKNSA-N
XLogP1.77
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.77
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

(3S,6R)-6-methyl-1-(2-phenoxyethyl)piperidine-3-carboxamide
CID 95342008
3,3-diethyl-7-methyl-1-(2-phenoxyethyl)-1,4-diazepane
CID 64871449
4-[2-(2-methyl-4-phenyl-5-propan-2-ylpiperazin-1-yl)ethoxy]phenol
CID 57001844
2,5-dimethyl-1-(3-phenoxypropyl)pyrrolidine
CID 123293615
2-(chloromethyl)-3-methyl-1-(2-phenoxyethyl)pyrrolidine
CID 102784580
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530
4-methyl-1-(3-phenoxypropyl)pyrrolidin-3-amine
CID 103577059
2-methyl-1-(3-phenoxypropyl)-5-propylpiperazine
CID 64846367
3-methyl-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-5-amine
CID 82581834
2,2,5-trimethyl-1-(2-phenoxyethyl)piperazine
CID 64844519
1-ethyl-2,5-dimethyl-4-[2-(4-nitrophenoxy)ethyl]piperazine
CID 122133037
2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(2-phenoxyethyl)aziridine?
The IUPAC name of (2R)-2-methyl-1-(2-phenoxyethyl)aziridine (CID 122210723) is (2R)-2-methyl-1-(2-phenoxyethyl)aziridine.
What is the SMILES notation for (2R)-2-methyl-1-(2-phenoxyethyl)aziridine?
The canonical SMILES for (2R)-2-methyl-1-(2-phenoxyethyl)aziridine is C[C@@H]1CN1CCOc1ccccc1.
What is the InChIKey of (2R)-2-methyl-1-(2-phenoxyethyl)aziridine?
The InChIKey is RHYFKDAZBMDGKM-RWANSRKNSA-N. The full InChI is InChI=1S/C11H15NO/c1-10-9-12(10)7-8-13-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3/t10-,12?/m1/s1.
What are the key properties of (2R)-2-methyl-1-(2-phenoxyethyl)aziridine?
(2R)-2-methyl-1-(2-phenoxyethyl)aziridine has a molecular weight of 177.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(2-phenoxyethyl)aziridine is sourced from PubChem (CID 122210723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).