2-[3-(2,3-dichlorophenoxy)propoxy]aniline

C15H15Cl2NO2 — CID 43174436

IUPAC2-[3-(2,3-dichlorophenoxy)propoxy]aniline
SMILESNc1ccccc1OCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-11-5-3-8-14(15(11)17)20-10-4-9-19-13-7-2-1-6-12(13)18/h1-3,5-8H,4,9-10,18H2
InChIKeyJTYSKGKWXLZRAU-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.42
Rot. Bonds6

About 2-[3-(2,3-dichlorophenoxy)propoxy]aniline

2-[3-(2,3-dichlorophenoxy)propoxy]aniline (PubChem CID 43174436) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[3-(2,3-dichlorophenoxy)propoxy]aniline.

Molecular Properties

Compound Name2-[3-(2,3-dichlorophenoxy)propoxy]aniline
PubChem CID43174436
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-[3-(2,3-dichlorophenoxy)propoxy]aniline
SMILESNc1ccccc1OCCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl2NO2/c16-11-5-3-8-14(15(11)17)20-10-4-9-19-13-7-2-1-6-12(13)18/h1-3,5-8H,4,9-10,18H2
InChIKeyJTYSKGKWXLZRAU-UHFFFAOYSA-N
XLogP4.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(2,3-dichlorophenoxy)propoxy]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-(2,3-dichlorophenoxy)propane-1-thiol
CID 79019605
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
[2-[2-(2,3-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 43531293
2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954
2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
3-[7-(2-aminophenoxy)heptoxy]-2-methylaniline
CID 146356261
4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline
CID 39452146
2-[(2-chlorophenyl)methoxy]aniline;hydrochloride
CID 134094943
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407
2-chloro-3-(2-phenylethoxy)aniline
CID 140509914
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dichlorophenoxy)propoxy]aniline?
The IUPAC name of 2-[3-(2,3-dichlorophenoxy)propoxy]aniline (CID 43174436) is 2-[3-(2,3-dichlorophenoxy)propoxy]aniline.
What is the SMILES notation for 2-[3-(2,3-dichlorophenoxy)propoxy]aniline?
The canonical SMILES for 2-[3-(2,3-dichlorophenoxy)propoxy]aniline is Nc1ccccc1OCCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 2-[3-(2,3-dichlorophenoxy)propoxy]aniline?
The InChIKey is JTYSKGKWXLZRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c16-11-5-3-8-14(15(11)17)20-10-4-9-19-13-7-2-1-6-12(13)18/h1-3,5-8H,4,9-10,18H2.
What are the key properties of 2-[3-(2,3-dichlorophenoxy)propoxy]aniline?
2-[3-(2,3-dichlorophenoxy)propoxy]aniline has a molecular weight of 312.20 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dichlorophenoxy)propoxy]aniline is sourced from PubChem (CID 43174436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).