3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline

C11H15BrFNO2 — CID 106449299

IUPAC3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
SMILESCCCOCCOc1c(N)cc(F)cc1Br
InChIInChI=1S/C11H15BrFNO2/c1-2-3-15-4-5-16-11-9(12)6-8(13)7-10(11)14/h6-7H,2-5,14H2,1H3
InChIKeyAYHGFPHTMLMZHA-UHFFFAOYSA-N
MW292.15 g/mol
LogP2.98
Rot. Bonds6

About 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline

3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline (PubChem CID 106449299) has the molecular formula C11H15BrFNO2 and a molecular weight of 292.15 g/mol. Its IUPAC name is 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline.

Molecular Properties

Compound Name3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
PubChem CID106449299
Molecular FormulaC11H15BrFNO2
Molecular Weight292.15 g/mol
Exact Mass291.03
IUPAC Name3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline
SMILESCCCOCCOc1c(N)cc(F)cc1Br
InChIInChI=1S/C11H15BrFNO2/c1-2-3-15-4-5-16-11-9(12)6-8(13)7-10(11)14/h6-7H,2-5,14H2,1H3
InChIKeyAYHGFPHTMLMZHA-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-fluoro-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103408888
3-bromo-5-tert-butyl-2-(2-propoxyethoxy)aniline
CID 54853170
3-bromo-5-fluoro-2-(2-fluoroethoxy)aniline
CID 80698590
3-bromo-5-fluoro-2-(2-propylsulfonylethoxy)aniline
CID 106721656
3-bromo-5-fluoro-2-(4,4,4-trifluorobutoxy)aniline
CID 113326202
5-bromo-3-methyl-2-(2-propoxyethoxy)aniline
CID 54853076
4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine
CID 103553765
3-bromo-5-fluoro-2-(2-pyrrolidin-1-ylethoxy)aniline
CID 107910960
3-(2-amino-6-bromo-4-fluorophenoxy)-N-methylpropanamide
CID 62326726
3-bromo-2-[(E)-but-2-enoxy]-5-fluoroaniline
CID 107898603
3-(2-amino-6-bromo-4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 62622876
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline?
The IUPAC name of 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline (CID 106449299) is 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline.
What is the SMILES notation for 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline?
The canonical SMILES for 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline is CCCOCCOc1c(N)cc(F)cc1Br.
What is the InChIKey of 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline?
The InChIKey is AYHGFPHTMLMZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2/c1-2-3-15-4-5-16-11-9(12)6-8(13)7-10(11)14/h6-7H,2-5,14H2,1H3.
What are the key properties of 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline?
3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline has a molecular weight of 292.15 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-fluoro-2-(2-propoxyethoxy)aniline is sourced from PubChem (CID 106449299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).