(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine

C11H15NO2 — CID 55263976

IUPAC(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
SMILESCCOc1ccc([C@H]2CN2)cc1OC
InChIInChI=1S/C11H15NO2/c1-3-14-10-5-4-8(9-7-12-9)6-11(10)13-2/h4-6,9,12H,3,7H2,1-2H3/t9-/m1/s1
InChIKeyIGWVHYKILCCYNG-SECBINFHSA-N
MW193.25 g/mol
LogP1.74
Rot. Bonds4

About (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine

(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine (PubChem CID 55263976) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine.

Molecular Properties

Compound Name(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
PubChem CID55263976
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
SMILESCCOc1ccc([C@H]2CN2)cc1OC
InChIInChI=1S/C11H15NO2/c1-3-14-10-5-4-8(9-7-12-9)6-11(10)13-2/h4-6,9,12H,3,7H2,1-2H3/t9-/m1/s1
InChIKeyIGWVHYKILCCYNG-SECBINFHSA-N
XLogP1.74
TPSA40.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-ethoxyphenyl)aziridine
CID 82469286
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
2-[4-(cyclopropylmethoxy)-3-methoxyphenyl]pyrrolidine
CID 117371452
3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
(2R)-2-(3-methoxy-4-phenylmethoxyphenyl)piperazine;hydrochloride
CID 171194691
(4R)-4-(3-ethoxy-4-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184614
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
3-(3,4-diethoxyphenyl)-1-methylpiperazine
CID 116989258
(5R)-5-(3,4-dimethoxyphenyl)piperazin-2-one
CID 97015434

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine?
The IUPAC name of (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine (CID 55263976) is (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine.
What is the SMILES notation for (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine?
The canonical SMILES for (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine is CCOc1ccc([C@H]2CN2)cc1OC.
What is the InChIKey of (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine?
The InChIKey is IGWVHYKILCCYNG-SECBINFHSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-14-10-5-4-8(9-7-12-9)6-11(10)13-2/h4-6,9,12H,3,7H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine?
(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine has a molecular weight of 193.25 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine is sourced from PubChem (CID 55263976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).