2,5-dichloroaniline;2-ethoxyaniline

C14H16Cl2N2O — CID 19102396

IUPAC2,5-dichloroaniline;2-ethoxyaniline
SMILESCCOc1ccccc1N.Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H11NO.C6H5Cl2N/c1-2-10-8-6-4-3-5-7(8)9;7-4-1-2-5(8)6(9)3-4/h3-6H,2,9H2,1H3;1-3H,9H2
InChIKeyUNPBZZIJTLMULL-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.24
Rot. Bonds2

About 2,5-dichloroaniline;2-ethoxyaniline

2,5-dichloroaniline;2-ethoxyaniline (PubChem CID 19102396) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 2,5-dichloroaniline;2-ethoxyaniline.

Molecular Properties

Compound Name2,5-dichloroaniline;2-ethoxyaniline
PubChem CID19102396
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name2,5-dichloroaniline;2-ethoxyaniline
SMILESCCOc1ccccc1N.Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C8H11NO.C6H5Cl2N/c1-2-10-8-6-4-3-5-7(8)9;7-4-1-2-5(8)6(9)3-4/h3-6H,2,9H2,1H3;1-3H,9H2
InChIKeyUNPBZZIJTLMULL-UHFFFAOYSA-N
XLogP4.24
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyaniline;molecular hydrogen
CID 144877970
2-[2-(2,4-dichlorophenoxy)ethoxy]aniline
CID 39418958
2-ethoxyaniline;propan-2-one
CID 517004
2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
5-chloro-2-[2-(2-propan-2-ylphenoxy)ethoxy]aniline
CID 39438987
5-chloro-2-decoxyaniline
CID 55187694
2-[3-(3-chlorophenoxy)propoxy]aniline
CID 43365954
4-chloro-2-[(2-ethoxyphenyl)methylsulfanyl]aniline
CID 79527895
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211
4-chloro-2-(2-ethoxyethoxy)aniline
CID 62306206
5-chloro-2-[2-(2-ethoxyphenoxy)ethoxy]benzenecarbothioamide
CID 20993126
(2-ethoxyphenyl) 2,5-dichlorobenzenesulfonate
CID 26948914

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloroaniline;2-ethoxyaniline?
The IUPAC name of 2,5-dichloroaniline;2-ethoxyaniline (CID 19102396) is 2,5-dichloroaniline;2-ethoxyaniline.
What is the SMILES notation for 2,5-dichloroaniline;2-ethoxyaniline?
The canonical SMILES for 2,5-dichloroaniline;2-ethoxyaniline is CCOc1ccccc1N.Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloroaniline;2-ethoxyaniline?
The InChIKey is UNPBZZIJTLMULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C6H5Cl2N/c1-2-10-8-6-4-3-5-7(8)9;7-4-1-2-5(8)6(9)3-4/h3-6H,2,9H2,1H3;1-3H,9H2.
What are the key properties of 2,5-dichloroaniline;2-ethoxyaniline?
2,5-dichloroaniline;2-ethoxyaniline has a molecular weight of 299.20 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloroaniline;2-ethoxyaniline is sourced from PubChem (CID 19102396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).