2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline

C15H14BrF2NO2 — CID 114671713

IUPAC2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(Oc2cc(Br)ccc2F)c(N)cc1F
InChIInChI=1S/C15H14BrF2NO2/c1-2-5-20-13-8-15(12(19)7-11(13)18)21-14-6-9(16)3-4-10(14)17/h3-4,6-8H,2,5,19H2,1H3
InChIKeyFOTRKRXETJXWGH-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.89
Rot. Bonds5

About 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline

2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline (PubChem CID 114671713) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
PubChem CID114671713
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC Name2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
SMILESCCCOc1cc(Oc2cc(Br)ccc2F)c(N)cc1F
InChIInChI=1S/C15H14BrF2NO2/c1-2-5-20-13-8-15(12(19)7-11(13)18)21-14-6-9(16)3-4-10(14)17/h3-4,6-8H,2,5,19H2,1H3
InChIKeyFOTRKRXETJXWGH-UHFFFAOYSA-N
XLogP4.89
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.89
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-(2-bromo-4-methylphenoxy)-5-fluoro-4-propoxyaniline
CID 63593727
5-fluoro-2-(2-methylsulfanylphenoxy)-4-propoxyaniline
CID 63647609
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
2-(4-bromophenyl)sulfanyl-5-fluoro-4-propoxyaniline
CID 63592470
1-N-(4-bromo-2-chlorophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63593287
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
4-bromo-2-(2-butoxyethoxy)-1-fluorobenzene
CID 115919154
1-N-(3-bromophenyl)-4-fluoro-5-propoxybenzene-1,2-diamine
CID 63592218
4-bromo-1-fluoro-2-(2-fluoroethoxy)benzene
CID 86627693

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline?
The IUPAC name of 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline (CID 114671713) is 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline.
What is the SMILES notation for 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline?
The canonical SMILES for 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline is CCCOc1cc(Oc2cc(Br)ccc2F)c(N)cc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline?
The InChIKey is FOTRKRXETJXWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c1-2-5-20-13-8-15(12(19)7-11(13)18)21-14-6-9(16)3-4-10(14)17/h3-4,6-8H,2,5,19H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline?
2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline has a molecular weight of 358.18 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline is sourced from PubChem (CID 114671713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).