2-(3-chloro-4-ethoxyphenyl)aziridine

C10H12ClNO — CID 82469286

IUPAC2-(3-chloro-4-ethoxyphenyl)aziridine
SMILESCCOc1ccc(C2CN2)cc1Cl
InChIInChI=1S/C10H12ClNO/c1-2-13-10-4-3-7(5-8(10)11)9-6-12-9/h3-5,9,12H,2,6H2,1H3
InChIKeyOYEPZRLFQOABCQ-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.38
Rot. Bonds3

About 2-(3-chloro-4-ethoxyphenyl)aziridine

2-(3-chloro-4-ethoxyphenyl)aziridine (PubChem CID 82469286) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(3-chloro-4-ethoxyphenyl)aziridine.

Molecular Properties

Compound Name2-(3-chloro-4-ethoxyphenyl)aziridine
PubChem CID82469286
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-(3-chloro-4-ethoxyphenyl)aziridine
SMILESCCOc1ccc(C2CN2)cc1Cl
InChIInChI=1S/C10H12ClNO/c1-2-13-10-4-3-7(5-8(10)11)9-6-12-9/h3-5,9,12H,2,6H2,1H3
InChIKeyOYEPZRLFQOABCQ-UHFFFAOYSA-N
XLogP2.38
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-chloro-4-ethoxyphenyl)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

(2S)-2-(4-ethoxy-3-methoxyphenyl)aziridine
CID 55263976
4-(3-chloro-4-ethoxyphenyl)-2-oxoimidazolidine-1-carbonitrile
CID 116980032
2-(3-chloro-4-ethoxyphenyl)thiomorpholine
CID 82300236
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
2-(3-chloro-4-ethoxyphenyl)-3-methyloxirane
CID 116863459
(2S)-2-(3-chloro-4-methylphenyl)aziridine
CID 55263390
4-(3,4-diethoxyphenyl)azetidin-2-one
CID 131885056
2-(4-ethoxy-3-methylphenyl)-4-methylazetidine
CID 116821986
2-(3,4-diethoxyphenyl)piperidine
CID 4544824
(5R,7S)-5-(3-chloro-4-ethoxyphenyl)-7-(2-chlorophenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136667989
2-(5-chloro-2-ethoxy-4-methylphenyl)-4-methylpyrrolidine
CID 3975239
4-[(2R)-azetidin-2-yl]-2-ethoxyphenol
CID 131080980

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-ethoxyphenyl)aziridine?
The IUPAC name of 2-(3-chloro-4-ethoxyphenyl)aziridine (CID 82469286) is 2-(3-chloro-4-ethoxyphenyl)aziridine.
What is the SMILES notation for 2-(3-chloro-4-ethoxyphenyl)aziridine?
The canonical SMILES for 2-(3-chloro-4-ethoxyphenyl)aziridine is CCOc1ccc(C2CN2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-ethoxyphenyl)aziridine?
The InChIKey is OYEPZRLFQOABCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-13-10-4-3-7(5-8(10)11)9-6-12-9/h3-5,9,12H,2,6H2,1H3.
What are the key properties of 2-(3-chloro-4-ethoxyphenyl)aziridine?
2-(3-chloro-4-ethoxyphenyl)aziridine has a molecular weight of 197.66 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-ethoxyphenyl)aziridine is sourced from PubChem (CID 82469286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).