4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline

C15H15Cl2NO2 — CID 39452146

IUPAC4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline
SMILESCc1cc(OCCOc2cccc(Cl)c2Cl)ccc1N
InChIInChI=1S/C15H15Cl2NO2/c1-10-9-11(5-6-13(10)18)19-7-8-20-14-4-2-3-12(16)15(14)17/h2-6,9H,7-8,18H2,1H3
InChIKeyRBHHIAFFRCSFPR-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.34
Rot. Bonds5

About 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline

4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline (PubChem CID 39452146) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline.

Molecular Properties

Compound Name4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline
PubChem CID39452146
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline
SMILESCc1cc(OCCOc2cccc(Cl)c2Cl)ccc1N
InChIInChI=1S/C15H15Cl2NO2/c1-10-9-11(5-6-13(10)18)19-7-8-20-14-4-2-3-12(16)15(14)17/h2-6,9H,7-8,18H2,1H3
InChIKeyRBHHIAFFRCSFPR-UHFFFAOYSA-N
XLogP4.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.34
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'}

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Related Compounds

2-methyl-4-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359285
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
4-[10-(2-aminophenoxy)decoxy]-2-methylaniline
CID 146356223
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
4-(2-aminoethoxy)-2-methylaniline
CID 15870804
4-(2-aminoethoxy)-2-methylaniline;dihydrochloride
CID 164607051
4-[2-(3,4-difluorophenoxy)ethoxy]-2-methylaniline
CID 39379204
2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline
CID 39399797
2-[2-(4-amino-3-methylphenoxy)ethoxy]ethanol
CID 61069192
1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
CID 2289149
2-methyl-4-nonoxyaniline
CID 43128997

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline?
The IUPAC name of 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline (CID 39452146) is 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline.
What is the SMILES notation for 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline?
The canonical SMILES for 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline is Cc1cc(OCCOc2cccc(Cl)c2Cl)ccc1N.
What is the InChIKey of 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline?
The InChIKey is RBHHIAFFRCSFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-10-9-11(5-6-13(10)18)19-7-8-20-14-4-2-3-12(16)15(14)17/h2-6,9H,7-8,18H2,1H3.
What are the key properties of 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline?
4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline has a molecular weight of 312.20 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline is sourced from PubChem (CID 39452146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).