2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline

C14H12BrCl2NO2 — CID 107498125

IUPAC2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline
SMILESNc1cc(Cl)c(Cl)cc1OCCOc1cccc(Br)c1
InChIInChI=1S/C14H12BrCl2NO2/c15-9-2-1-3-10(6-9)19-4-5-20-14-8-12(17)11(16)7-13(14)18/h1-3,6-8H,4-5,18H2
InChIKeyRSXGHMMIGXDFQC-UHFFFAOYSA-N
MW377.07 g/mol
LogP4.80
Rot. Bonds5

About 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline

2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline (PubChem CID 107498125) has the molecular formula C14H12BrCl2NO2 and a molecular weight of 377.07 g/mol. Its IUPAC name is 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline.

Molecular Properties

Compound Name2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline
PubChem CID107498125
Molecular FormulaC14H12BrCl2NO2
Molecular Weight377.07 g/mol
Exact Mass374.94
IUPAC Name2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline
SMILESNc1cc(Cl)c(Cl)cc1OCCOc1cccc(Br)c1
InChIInChI=1S/C14H12BrCl2NO2/c15-9-2-1-3-10(6-9)19-4-5-20-14-8-12(17)11(16)7-13(14)18/h1-3,6-8H,4-5,18H2
InChIKeyRSXGHMMIGXDFQC-UHFFFAOYSA-N
XLogP4.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.07
LogP ≤ 54.80
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

4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
3-[2-(2,4,5-trichlorophenoxy)ethoxy]aniline
CID 43365992
3-[3-(4-bromo-2-chlorophenoxy)propoxy]aniline
CID 43174446
2-bromo-3-[2-(3-bromophenoxy)ethoxy]pyridine
CID 62047656
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
[2-[2-(3-bromophenoxy)ethoxy]-3,5-dichlorophenyl]methanamine
CID 63499735
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
2-[2-(3-bromophenoxy)ethoxy]-4-chlorobenzoic acid
CID 45418932
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
2-(3-bromophenoxy)ethyl 2-amino-6-methylbenzoate
CID 63450116
3-(3-bromophenoxy)propane-1-thiol
CID 79019350

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline?
The IUPAC name of 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline (CID 107498125) is 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline.
What is the SMILES notation for 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline?
The canonical SMILES for 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline is Nc1cc(Cl)c(Cl)cc1OCCOc1cccc(Br)c1.
What is the InChIKey of 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline?
The InChIKey is RSXGHMMIGXDFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO2/c15-9-2-1-3-10(6-9)19-4-5-20-14-8-12(17)11(16)7-13(14)18/h1-3,6-8H,4-5,18H2.
What are the key properties of 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline?
2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline has a molecular weight of 377.07 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenoxy)ethoxy]-4,5-dichloroaniline is sourced from PubChem (CID 107498125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).