5-fluoro-2-(4-methoxybutoxy)aniline

C11H16FNO2 — CID 104646776

IUPAC5-fluoro-2-(4-methoxybutoxy)aniline
SMILESCOCCCCOc1ccc(F)cc1N
InChIInChI=1S/C11H16FNO2/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyFFZZWDAUZOKKIK-UHFFFAOYSA-N
MW213.25 g/mol
LogP2.21
Rot. Bonds6

About 5-fluoro-2-(4-methoxybutoxy)aniline

5-fluoro-2-(4-methoxybutoxy)aniline (PubChem CID 104646776) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 5-fluoro-2-(4-methoxybutoxy)aniline.

Molecular Properties

Compound Name5-fluoro-2-(4-methoxybutoxy)aniline
PubChem CID104646776
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name5-fluoro-2-(4-methoxybutoxy)aniline
SMILESCOCCCCOc1ccc(F)cc1N
InChIInChI=1S/C11H16FNO2/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8H,2-3,6-7,13H2,1H3
InChIKeyFFZZWDAUZOKKIK-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

5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
4-(2-amino-4-fluorophenoxy)butan-1-ol
CID 62369836
[5-fluoro-2-(4-methoxybutoxy)phenyl]boronic acid
CID 104648202
trifluoro-[5-fluoro-2-(4-methoxybutoxy)phenyl]boranuide
CID 104648215
ethyl 4-(2-amino-4-fluorophenoxy)butanoate
CID 19742044
5-fluoro-2-[2-(3-methylbutoxy)ethoxy]aniline
CID 62368345
5-fluoro-2-(3-methoxypropylsulfanyl)aniline
CID 60926666
2-[2-[cyclopropyl(methyl)amino]ethoxy]-5-fluoroaniline
CID 102739824
4-fluoro-2-octoxyaniline
CID 43128998
2-[(4-ethylphenyl)methoxy]-5-fluoroaniline
CID 62368174
4-fluoro-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 58355547
5-fluoro-2-[(4-methoxyphenyl)methoxy]aniline
CID 19627149

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methoxybutoxy)aniline?
The IUPAC name of 5-fluoro-2-(4-methoxybutoxy)aniline (CID 104646776) is 5-fluoro-2-(4-methoxybutoxy)aniline.
What is the SMILES notation for 5-fluoro-2-(4-methoxybutoxy)aniline?
The canonical SMILES for 5-fluoro-2-(4-methoxybutoxy)aniline is COCCCCOc1ccc(F)cc1N.
What is the InChIKey of 5-fluoro-2-(4-methoxybutoxy)aniline?
The InChIKey is FFZZWDAUZOKKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8H,2-3,6-7,13H2,1H3.
What are the key properties of 5-fluoro-2-(4-methoxybutoxy)aniline?
5-fluoro-2-(4-methoxybutoxy)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 5-fluoro-2-(4-methoxybutoxy)aniline is sourced from PubChem (CID 104646776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).