2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline

C15H15Cl2NO2 — CID 39452119

IUPAC2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
SMILESCc1ccc(N)c(OCCOc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H15Cl2NO2/c1-10-5-6-13(18)14(9-10)19-7-8-20-15-11(16)3-2-4-12(15)17/h2-6,9H,7-8,18H2,1H3
InChIKeyAYDWGBXGMCGZFZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.34
Rot. Bonds5

About 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline

2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline (PubChem CID 39452119) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
PubChem CID39452119
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
SMILESCc1ccc(N)c(OCCOc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C15H15Cl2NO2/c1-10-5-6-13(18)14(9-10)19-7-8-20-15-11(16)3-2-4-12(15)17/h2-6,9H,7-8,18H2,1H3
InChIKeyAYDWGBXGMCGZFZ-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-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
4-methyl-2-[2-(2-methylphenoxy)ethoxy]aniline
CID 39359276
4-methyl-2-propoxyaniline
CID 24698653
2-[2-(2,3-dichlorophenoxy)ethoxy]-5-methylaniline
CID 39452116
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728
2-(3-methoxypropoxy)-4-methylaniline
CID 26189547
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
2-[2-(2-amino-4-methylphenoxy)ethoxy]-5-chloro-4-methylaniline
CID 42643574
3-chloro-2-propoxyaniline
CID 14618927
2-(fluoromethoxy)-4-methylaniline
CID 123529275
3-(2-amino-5-methylphenoxy)propanoic acid
CID 63948473

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline?
The IUPAC name of 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline (CID 39452119) is 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline.
What is the SMILES notation for 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline?
The canonical SMILES for 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline is Cc1ccc(N)c(OCCOc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline?
The InChIKey is AYDWGBXGMCGZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-10-5-6-13(18)14(9-10)19-7-8-20-15-11(16)3-2-4-12(15)17/h2-6,9H,7-8,18H2,1H3.
What are the key properties of 2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline?
2-[2-(2,6-dichlorophenoxy)ethoxy]-4-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-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline is sourced from PubChem (CID 39452119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).