4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline

C14H13BrClNO2 — CID 43365979

IUPAC4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
SMILESNc1ccc(OCCOc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H13BrClNO2/c15-13-9-10(16)1-6-14(13)19-8-7-18-12-4-2-11(17)3-5-12/h1-6,9H,7-8,17H2
InChIKeyCKOOPFOKWVAWAS-UHFFFAOYSA-N
MW342.62 g/mol
LogP4.14
Rot. Bonds5

About 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline

4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline (PubChem CID 43365979) has the molecular formula C14H13BrClNO2 and a molecular weight of 342.62 g/mol. Its IUPAC name is 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
PubChem CID43365979
Molecular FormulaC14H13BrClNO2
Molecular Weight342.62 g/mol
Exact Mass340.98
IUPAC Name4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
SMILESNc1ccc(OCCOc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C14H13BrClNO2/c15-13-9-10(16)1-6-14(13)19-8-7-18-12-4-2-11(17)3-5-12/h1-6,9H,7-8,17H2
InChIKeyCKOOPFOKWVAWAS-UHFFFAOYSA-N
XLogP4.14
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.62
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-N-methylmethanamine
CID 62459974
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448
2,4-dibromo-1-[3-(4-chlorophenoxy)propoxy]benzene
CID 59330882
2-[3-(2-bromo-4-chlorophenoxy)propoxy]aniline
CID 43365975
2-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]-1,3,4-oxadiazole
CID 17427713
2-(2-bromo-4-chlorophenoxy)ethyl 4-(2-amino-2-oxoethoxy)benzoate
CID 18092693
4-[2-(4-bromo-3-fluorophenoxy)ethoxy]aniline
CID 65203637
3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 62057318
[4-[2-(2,4-dichlorophenoxy)ethoxy]phenyl]methanamine
CID 20992565
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
4-[2-(2,6-dibromophenoxy)ethoxy]aniline
CID 43366084

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline?
The IUPAC name of 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline (CID 43365979) is 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline.
What is the SMILES notation for 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline?
The canonical SMILES for 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline is Nc1ccc(OCCOc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline?
The InChIKey is CKOOPFOKWVAWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2/c15-13-9-10(16)1-6-14(13)19-8-7-18-12-4-2-11(17)3-5-12/h1-6,9H,7-8,17H2.
What are the key properties of 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline?
4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline has a molecular weight of 342.62 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline is sourced from PubChem (CID 43365979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).