5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline

C11H14BrF2NO — CID 106452646

IUPAC5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H14BrF2NO/c1-2-4-16-5-3-15-11-6-8(12)9(13)7-10(11)14/h6-7,15H,2-5H2,1H3
InChIKeyQLOCIJADIUZIHU-UHFFFAOYSA-N
MW294.14 g/mol
LogP3.57
Rot. Bonds6

About 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline

5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline (PubChem CID 106452646) has the molecular formula C11H14BrF2NO and a molecular weight of 294.14 g/mol. Its IUPAC name is 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline.

Molecular Properties

Compound Name5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline
PubChem CID106452646
Molecular FormulaC11H14BrF2NO
Molecular Weight294.14 g/mol
Exact Mass293.02
IUPAC Name5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline
SMILESCCCOCCNc1cc(Br)c(F)cc1F
InChIInChI=1S/C11H14BrF2NO/c1-2-4-16-5-3-15-11-6-8(12)9(13)7-10(11)14/h6-7,15H,2-5H2,1H3
InChIKeyQLOCIJADIUZIHU-UHFFFAOYSA-N
XLogP3.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2,5-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]aniline
CID 103843080
5-bromo-2,4-difluoro-N-(3-fluoropropyl)aniline
CID 102853522
2-[2-(2,4,5-trifluoroanilino)ethoxy]ethanol
CID 62815209
2-bromo-5-chloro-4-methyl-N-(2-propoxyethyl)aniline
CID 106452481
ethyl 2-[2-(5-bromo-4-fluoro-2-methylanilino)ethoxy]acetate
CID 107592905
2-[2-(2-amino-5-bromo-4-fluoroanilino)ethoxy]acetamide
CID 114161852
5-bromo-2,4-difluoro-N-(2-methylpentyl)aniline
CID 102852837
2-bromo-N-(2-butoxyethyl)-4-fluoroaniline
CID 61483215
4-bromo-N-(2-propoxyethyl)aniline
CID 62582650
3-(5-bromo-2,4-difluoroanilino)propanoic acid
CID 102853464
2-chloro-4-fluoro-N-(2-propoxyethyl)aniline
CID 106451563
5-bromo-4-fluoro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 107591892

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline?
The IUPAC name of 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline (CID 106452646) is 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline.
What is the SMILES notation for 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline?
The canonical SMILES for 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline is CCCOCCNc1cc(Br)c(F)cc1F.
What is the InChIKey of 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline?
The InChIKey is QLOCIJADIUZIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF2NO/c1-2-4-16-5-3-15-11-6-8(12)9(13)7-10(11)14/h6-7,15H,2-5H2,1H3.
What are the key properties of 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline?
5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline has a molecular weight of 294.14 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-difluoro-N-(2-propoxyethyl)aniline is sourced from PubChem (CID 106452646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).