4-methoxy-2-(4,4,4-trifluorobutoxy)aniline

C11H14F3NO2 — CID 82788711

IUPAC4-methoxy-2-(4,4,4-trifluorobutoxy)aniline
SMILESCOc1ccc(N)c(OCCCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-16-8-3-4-9(15)10(7-8)17-6-2-5-11(12,13)14/h3-4,7H,2,5-6,15H2,1H3
InChIKeyLUNLVPOUIUFGQE-UHFFFAOYSA-N
MW249.23 g/mol
LogP3.00
Rot. Bonds5

About 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline

4-methoxy-2-(4,4,4-trifluorobutoxy)aniline (PubChem CID 82788711) has the molecular formula C11H14F3NO2 and a molecular weight of 249.23 g/mol. Its IUPAC name is 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline.

Molecular Properties

Compound Name4-methoxy-2-(4,4,4-trifluorobutoxy)aniline
PubChem CID82788711
Molecular FormulaC11H14F3NO2
Molecular Weight249.23 g/mol
Exact Mass249.10
IUPAC Name4-methoxy-2-(4,4,4-trifluorobutoxy)aniline
SMILESCOc1ccc(N)c(OCCCC(F)(F)F)c1
InChIInChI=1S/C11H14F3NO2/c1-16-8-3-4-9(15)10(7-8)17-6-2-5-11(12,13)14/h3-4,7H,2,5-6,15H2,1H3
InChIKeyLUNLVPOUIUFGQE-UHFFFAOYSA-N
XLogP3.00
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 53.00
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

2-bromo-4-methoxy-1-(4,4,4-trifluorobutoxy)benzene
CID 113443609
5-(2-amino-5-methoxyphenoxy)pentan-1-ol
CID 102702306
[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boronic acid
CID 104706122
4-(4,4,4-trifluorobutoxy)benzene-1,2-diamine
CID 106748542
potassium trifluoro-[5-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]boranuide
CID 104706270
N-[[4-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]methyl]ethanamine
CID 115513169
4-methoxy-2-N-(4,4,4-trifluorobutyl)benzene-1,2-diamine
CID 115515270
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
4-amino-N-methyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82900533
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
4-amino-N-ethyl-3-(4,4,4-trifluorobutoxy)benzenesulfonamide
CID 82902346

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline?
The IUPAC name of 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline (CID 82788711) is 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline.
What is the SMILES notation for 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline?
The canonical SMILES for 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline is COc1ccc(N)c(OCCCC(F)(F)F)c1.
What is the InChIKey of 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline?
The InChIKey is LUNLVPOUIUFGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-8-3-4-9(15)10(7-8)17-6-2-5-11(12,13)14/h3-4,7H,2,5-6,15H2,1H3.
What are the key properties of 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline?
4-methoxy-2-(4,4,4-trifluorobutoxy)aniline has a molecular weight of 249.23 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(4,4,4-trifluorobutoxy)aniline is sourced from PubChem (CID 82788711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).