2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline

C15H15Cl2NO2 — CID 39452116

IUPAC2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cccc(Cl)c2Cl)c(N)c1
InChIInChI=1S/C15H15Cl2NO2/c1-10-5-6-13(12(18)9-10)19-7-8-20-14-4-2-3-11(16)15(14)17/h2-6,9H,7-8,18H2,1H3
InChIKeyLPSFQDDZHJAYBL-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline

2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline (PubChem CID 39452116) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
PubChem CID39452116
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
SMILESCc1ccc(OCCOc2cccc(Cl)c2Cl)c(N)c1
InChIInChI=1S/C15H15Cl2NO2/c1-10-5-6-13(12(18)9-10)19-7-8-20-14-4-2-3-11(16)15(14)17/h2-6,9H,7-8,18H2,1H3
InChIKeyLPSFQDDZHJAYBL-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

1,2-dichloro-3-[2-(2-methoxy-4-methylphenoxy)ethoxy]benzene
CID 2289149
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
2-[2-(2,3-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39371046
1,2-dichloro-3-[3-(2-methoxy-4-methylphenoxy)propoxy]benzene
CID 2284407
2-[3-(2,3-dichlorophenoxy)propoxy]aniline
CID 43174436
2-[2-(4-chloro-3,5-dimethylphenoxy)ethoxy]-5-methylaniline
CID 39438979
2-[2-(2,5-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452114
4-[2-(2,3-dichlorophenoxy)ethoxy]-2-methylaniline
CID 39452146
6-[2-(2-amino-4-methylphenoxy)ethoxy]-3-chloro-2,4-dimethylaniline
CID 42646928
2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
CID 39452119
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline?
The IUPAC name of 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline (CID 39452116) is 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline.
What is the SMILES notation for 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline?
The canonical SMILES for 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline is Cc1ccc(OCCOc2cccc(Cl)c2Cl)c(N)c1.
What is the InChIKey of 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline?
The InChIKey is LPSFQDDZHJAYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-10-5-6-13(12(18)9-10)19-7-8-20-14-4-2-3-11(16)15(14)17/h2-6,9H,7-8,18H2,1H3.
What are the key properties of 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline?
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-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 2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline is sourced from PubChem (CID 39452116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).