4-[2-(2,6-dibromophenoxy)ethoxy]aniline

C14H13Br2NO2 — CID 43366084

IUPAC4-[2-(2,6-dibromophenoxy)ethoxy]aniline
SMILESNc1ccc(OCCOc2c(Br)cccc2Br)cc1
InChIInChI=1S/C14H13Br2NO2/c15-12-2-1-3-13(16)14(12)19-9-8-18-11-6-4-10(17)5-7-11/h1-7H,8-9,17H2
InChIKeyKURVSYXDLJQATC-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.25
Rot. Bonds5

About 4-[2-(2,6-dibromophenoxy)ethoxy]aniline

4-[2-(2,6-dibromophenoxy)ethoxy]aniline (PubChem CID 43366084) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 4-[2-(2,6-dibromophenoxy)ethoxy]aniline.

Molecular Properties

Compound Name4-[2-(2,6-dibromophenoxy)ethoxy]aniline
PubChem CID43366084
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name4-[2-(2,6-dibromophenoxy)ethoxy]aniline
SMILESNc1ccc(OCCOc2c(Br)cccc2Br)cc1
InChIInChI=1S/C14H13Br2NO2/c15-12-2-1-3-13(16)14(12)19-9-8-18-11-6-4-10(17)5-7-11/h1-7H,8-9,17H2
InChIKeyKURVSYXDLJQATC-UHFFFAOYSA-N
XLogP4.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.25
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

4-[2-[4-[2-(4-aminophenoxy)ethoxy]phenoxy]ethoxy]aniline;azane
CID 67942387
4-[3-(2,6-dibromophenoxy)propoxy]benzonitrile
CID 43289580
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[2-(4-bromo-3-fluorophenoxy)ethoxy]aniline
CID 65203637
4-[2-(2-bromo-4-chlorophenoxy)ethoxy]aniline
CID 43365979
1-bromo-2-[2-(4-bromophenoxy)ethoxy]-3-methoxybenzene
CID 83140157
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
3-bromo-2-[2-(4-bromophenoxy)ethoxy]benzaldehyde
CID 63529192
4-[2-[(3-bromophenyl)methoxy]ethoxy]aniline
CID 82827978
2-[3-bromo-2-(3-phenoxypropoxy)phenyl]ethanamine
CID 62937844
3-[3-(2,4,6-tribromophenoxy)propoxy]aniline
CID 43366205
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dibromophenoxy)ethoxy]aniline?
The IUPAC name of 4-[2-(2,6-dibromophenoxy)ethoxy]aniline (CID 43366084) is 4-[2-(2,6-dibromophenoxy)ethoxy]aniline.
What is the SMILES notation for 4-[2-(2,6-dibromophenoxy)ethoxy]aniline?
The canonical SMILES for 4-[2-(2,6-dibromophenoxy)ethoxy]aniline is Nc1ccc(OCCOc2c(Br)cccc2Br)cc1.
What is the InChIKey of 4-[2-(2,6-dibromophenoxy)ethoxy]aniline?
The InChIKey is KURVSYXDLJQATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c15-12-2-1-3-13(16)14(12)19-9-8-18-11-6-4-10(17)5-7-11/h1-7H,8-9,17H2.
What are the key properties of 4-[2-(2,6-dibromophenoxy)ethoxy]aniline?
4-[2-(2,6-dibromophenoxy)ethoxy]aniline has a molecular weight of 387.07 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dibromophenoxy)ethoxy]aniline is sourced from PubChem (CID 43366084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).