3-(2,4-dibromophenoxy)-5-ethoxyaniline

C14H13Br2NO2 — CID 80747735

IUPAC3-(2,4-dibromophenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C14H13Br2NO2/c1-2-18-11-6-10(17)7-12(8-11)19-14-4-3-9(15)5-13(14)16/h3-8H,2,17H2,1H3
InChIKeyYXRHGFMARBNMAV-UHFFFAOYSA-N
MW387.07 g/mol
LogP4.98
Rot. Bonds4

About 3-(2,4-dibromophenoxy)-5-ethoxyaniline

3-(2,4-dibromophenoxy)-5-ethoxyaniline (PubChem CID 80747735) has the molecular formula C14H13Br2NO2 and a molecular weight of 387.07 g/mol. Its IUPAC name is 3-(2,4-dibromophenoxy)-5-ethoxyaniline.

Molecular Properties

Compound Name3-(2,4-dibromophenoxy)-5-ethoxyaniline
PubChem CID80747735
Molecular FormulaC14H13Br2NO2
Molecular Weight387.07 g/mol
Exact Mass384.93
IUPAC Name3-(2,4-dibromophenoxy)-5-ethoxyaniline
SMILESCCOc1cc(N)cc(Oc2ccc(Br)cc2Br)c1
InChIInChI=1S/C14H13Br2NO2/c1-2-18-11-6-10(17)7-12(8-11)19-14-4-3-9(15)5-13(14)16/h3-8H,2,17H2,1H3
InChIKeyYXRHGFMARBNMAV-UHFFFAOYSA-N
XLogP4.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.07
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromo-4-methylphenoxy)-5-ethoxyaniline
CID 80748837
3-(2-bromo-4-chlorophenoxy)-5-ethoxyaniline
CID 80747933
4-(2-bromo-4-ethoxyphenoxy)aniline
CID 22688226
3-(4-bromo-2-fluorophenoxy)-5-propoxyaniline
CID 80748838
3,5-diethoxyaniline
CID 22605063
3-(2,5-dimethylphenoxy)-5-ethoxyaniline
CID 80748606
3-ethoxy-5-(2-ethylphenoxy)aniline
CID 80747947
2,4-dibromo-1-(3-bromo-5-methoxyphenoxy)benzene
CID 132934312
4-(2,4-dibromophenoxy)benzene-1,2-diamine
CID 106748492
3-ethoxy-5-naphthalen-1-yloxyaniline
CID 80751912
1,2,3-tribromo-5-(2,4-dibromophenoxy)benzene
CID 86208553
3-(4-bromo-2-methylphenoxy)-5-methoxyaniline
CID 80749253

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenoxy)-5-ethoxyaniline?
The IUPAC name of 3-(2,4-dibromophenoxy)-5-ethoxyaniline (CID 80747735) is 3-(2,4-dibromophenoxy)-5-ethoxyaniline.
What is the SMILES notation for 3-(2,4-dibromophenoxy)-5-ethoxyaniline?
The canonical SMILES for 3-(2,4-dibromophenoxy)-5-ethoxyaniline is CCOc1cc(N)cc(Oc2ccc(Br)cc2Br)c1.
What is the InChIKey of 3-(2,4-dibromophenoxy)-5-ethoxyaniline?
The InChIKey is YXRHGFMARBNMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2NO2/c1-2-18-11-6-10(17)7-12(8-11)19-14-4-3-9(15)5-13(14)16/h3-8H,2,17H2,1H3.
What are the key properties of 3-(2,4-dibromophenoxy)-5-ethoxyaniline?
3-(2,4-dibromophenoxy)-5-ethoxyaniline has a molecular weight of 387.07 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenoxy)-5-ethoxyaniline is sourced from PubChem (CID 80747735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).