4-fluoro-2-(2-propoxyethoxy)aniline

C11H16FNO2 — CID 63684494

IUPAC4-fluoro-2-(2-propoxyethoxy)aniline
SMILESCCCOCCOc1cc(F)ccc1N
InChIInChI=1S/C11H16FNO2/c1-2-5-14-6-7-15-11-8-9(12)3-4-10(11)13/h3-4,8H,2,5-7,13H2,1H3
InChIKeyUSJOEODQLRZNEL-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.21
Rot. Bonds6

About 4-fluoro-2-(2-propoxyethoxy)aniline

4-fluoro-2-(2-propoxyethoxy)aniline (PubChem CID 63684494) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-fluoro-2-(2-propoxyethoxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(2-propoxyethoxy)aniline
PubChem CID63684494
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name4-fluoro-2-(2-propoxyethoxy)aniline
SMILESCCCOCCOc1cc(F)ccc1N
InChIInChI=1S/C11H16FNO2/c1-2-5-14-6-7-15-11-8-9(12)3-4-10(11)13/h3-4,8H,2,5-7,13H2,1H3
InChIKeyUSJOEODQLRZNEL-UHFFFAOYSA-N
XLogP2.21
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 52.21
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

4-fluoro-2-octoxyaniline
CID 43128998
4-methyl-2-(2-propoxyethoxy)aniline
CID 26189548
4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
3-[4-fluoro-2-(2-propoxyethoxy)phenyl]prop-2-yn-1-amine
CID 106455515
5-fluoro-2-(2-propoxyethoxy)benzonitrile
CID 63684547
4-amino-3-(2-propoxyethoxy)benzenesulfonamide
CID 82898491
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
4-[4-amino-3-(2-hexoxyethoxy)phenyl]-2-(2-hexoxyethoxy)aniline
CID 139768534
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
5-fluoro-2-[2-(3-methylbutoxy)ethoxy]aniline
CID 62368345
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-propoxyethoxy)aniline?
The IUPAC name of 4-fluoro-2-(2-propoxyethoxy)aniline (CID 63684494) is 4-fluoro-2-(2-propoxyethoxy)aniline.
What is the SMILES notation for 4-fluoro-2-(2-propoxyethoxy)aniline?
The canonical SMILES for 4-fluoro-2-(2-propoxyethoxy)aniline is CCCOCCOc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(2-propoxyethoxy)aniline?
The InChIKey is USJOEODQLRZNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-2-5-14-6-7-15-11-8-9(12)3-4-10(11)13/h3-4,8H,2,5-7,13H2,1H3.
What are the key properties of 4-fluoro-2-(2-propoxyethoxy)aniline?
4-fluoro-2-(2-propoxyethoxy)aniline has a molecular weight of 213.25 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-propoxyethoxy)aniline is sourced from PubChem (CID 63684494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).