3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline

C12H15Cl2NO2 — CID 65159099

IUPAC3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
SMILESNc1cc(Cl)c(OCCC2CCCO2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c13-10-6-8(15)7-11(14)12(10)17-5-3-9-2-1-4-16-9/h6-7,9H,1-5,15H2
InChIKeyIAVWLFUZWDKCPR-UHFFFAOYSA-N
MW276.16 g/mol
LogP3.52
Rot. Bonds4

About 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline

3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline (PubChem CID 65159099) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline.

Molecular Properties

Compound Name3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
PubChem CID65159099
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline
SMILESNc1cc(Cl)c(OCCC2CCCO2)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO2/c13-10-6-8(15)7-11(14)12(10)17-5-3-9-2-1-4-16-9/h6-7,9H,1-5,15H2
InChIKeyIAVWLFUZWDKCPR-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline 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

3-chloro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 107716147
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane
CID 65162793
3-bromo-5-[2-(oxolan-2-yl)ethoxy]aniline
CID 103588138
[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanamine
CID 112607668
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzenesulfonamide
CID 65162551
3,5-dibromo-4-[2-(oxolan-2-yl)ethoxy]benzoic acid
CID 107738433
3-bromo-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 81499922
3-fluoro-2-[2-(oxolan-2-yl)ethoxy]aniline
CID 104831301
5-chloro-6-[2-(oxolan-2-yl)ethoxy]pyridine-3-sulfonamide
CID 67126797
N-[[3-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 115953760
3-chloro-N'-hydroxy-4-[2-(oxolan-2-yl)ethoxy]benzenecarboximidamide
CID 77057918
2-[5-chloro-2-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 65164179

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline?
The IUPAC name of 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline (CID 65159099) is 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline.
What is the SMILES notation for 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline?
The canonical SMILES for 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline is Nc1cc(Cl)c(OCCC2CCCO2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline?
The InChIKey is IAVWLFUZWDKCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO2/c13-10-6-8(15)7-11(14)12(10)17-5-3-9-2-1-4-16-9/h6-7,9H,1-5,15H2.
What are the key properties of 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline?
3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline has a molecular weight of 276.16 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[2-(oxolan-2-yl)ethoxy]aniline is sourced from PubChem (CID 65159099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).