2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline

C13H11BrFNO2 — CID 63599508

IUPAC2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2cccc(Br)c2)c(N)cc1F
InChIInChI=1S/C13H11BrFNO2/c1-17-12-7-13(11(16)6-10(12)15)18-9-4-2-3-8(14)5-9/h2-7H,16H2,1H3
InChIKeyCQBLPQSLCSEACX-UHFFFAOYSA-N
MW312.14 g/mol
LogP3.97
Rot. Bonds3

About 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline

2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline (PubChem CID 63599508) has the molecular formula C13H11BrFNO2 and a molecular weight of 312.14 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline.

Molecular Properties

Compound Name2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
PubChem CID63599508
Molecular FormulaC13H11BrFNO2
Molecular Weight312.14 g/mol
Exact Mass311.00
IUPAC Name2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline
SMILESCOc1cc(Oc2cccc(Br)c2)c(N)cc1F
InChIInChI=1S/C13H11BrFNO2/c1-17-12-7-13(11(16)6-10(12)15)18-9-4-2-3-8(14)5-9/h2-7H,16H2,1H3
InChIKeyCQBLPQSLCSEACX-UHFFFAOYSA-N
XLogP3.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.14
LogP ≤ 53.97
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

2-(3,4-dimethylphenoxy)-5-fluoro-4-methoxyaniline
CID 63599666
5-fluoro-4-methoxy-2-(4-methylphenoxy)aniline
CID 55215693
5-bromo-2-(3-bromophenoxy)aniline
CID 29030936
5-fluoro-2-(4-iodophenoxy)-4-methoxyaniline
CID 63598441
5-fluoro-2-methoxy-4-[3-(methoxymethyl)phenoxy]aniline
CID 107259906
2-(5-bromo-2,3-difluorophenoxy)-5-fluoro-4-methoxyaniline
CID 107097473
2-(3,5-dichlorophenoxy)-5-fluoro-4-methoxyaniline
CID 63598612
2-(3-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63598097
2-(2,3-dihydro-1H-inden-5-yloxy)-5-fluoro-4-methoxyaniline
CID 63599997
4,5-dimethoxy-2-phenoxyaniline
CID 83008509
4-(difluoromethoxy)-5-fluoro-2-(3-methylphenoxy)aniline
CID 63593528
4-(3,5-difluorophenoxy)-5-fluoro-2-methoxyaniline
CID 107259895

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline?
The IUPAC name of 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline (CID 63599508) is 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline.
What is the SMILES notation for 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline?
The canonical SMILES for 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline is COc1cc(Oc2cccc(Br)c2)c(N)cc1F.
What is the InChIKey of 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline?
The InChIKey is CQBLPQSLCSEACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2/c1-17-12-7-13(11(16)6-10(12)15)18-9-4-2-3-8(14)5-9/h2-7H,16H2,1H3.
What are the key properties of 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline?
2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline has a molecular weight of 312.14 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-5-fluoro-4-methoxyaniline is sourced from PubChem (CID 63599508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).