4-fluoro-2-(2-methylbutan-2-yloxy)aniline

C11H16FNO — CID 62377670

IUPAC4-fluoro-2-(2-methylbutan-2-yloxy)aniline
SMILESCCC(C)(C)Oc1cc(F)ccc1N
InChIInChI=1S/C11H16FNO/c1-4-11(2,3)14-10-7-8(12)5-6-9(10)13/h5-7H,4,13H2,1-3H3
InChIKeyKTUWBYUVEUZMMH-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.98
Rot. Bonds3

About 4-fluoro-2-(2-methylbutan-2-yloxy)aniline

4-fluoro-2-(2-methylbutan-2-yloxy)aniline (PubChem CID 62377670) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-fluoro-2-(2-methylbutan-2-yloxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(2-methylbutan-2-yloxy)aniline
PubChem CID62377670
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-fluoro-2-(2-methylbutan-2-yloxy)aniline
SMILESCCC(C)(C)Oc1cc(F)ccc1N
InChIInChI=1S/C11H16FNO/c1-4-11(2,3)14-10-7-8(12)5-6-9(10)13/h5-7H,4,13H2,1-3H3
InChIKeyKTUWBYUVEUZMMH-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-1-(2-methylbutan-2-yloxy)benzene;ethane
CID 144811143
5-fluoro-4-methyl-2-(2-methylbutan-2-yloxy)aniline
CID 103590975
2-(2-amino-2-methylpropoxy)-4-fluoroaniline
CID 117095575
methyl 4-amino-3-(2-methylbutan-2-yloxy)benzoate
CID 82796395
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
3,4-difluoro-2-(2-methylbutan-2-yloxy)aniline
CID 62533760
3-fluoro-4-(2-methylbutan-2-yloxy)phenol
CID 169297946
ethane;1-fluoro-4-(2-methylbutan-2-yloxy)benzene
CID 144811052
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
4-fluoro-2-octoxyaniline
CID 43128998
2-[(1S)-1-ethoxy-2,2,2-trifluoroethoxy]-4-fluoroaniline
CID 125499554
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-methylbutan-2-yloxy)aniline?
The IUPAC name of 4-fluoro-2-(2-methylbutan-2-yloxy)aniline (CID 62377670) is 4-fluoro-2-(2-methylbutan-2-yloxy)aniline.
What is the SMILES notation for 4-fluoro-2-(2-methylbutan-2-yloxy)aniline?
The canonical SMILES for 4-fluoro-2-(2-methylbutan-2-yloxy)aniline is CCC(C)(C)Oc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(2-methylbutan-2-yloxy)aniline?
The InChIKey is KTUWBYUVEUZMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-4-11(2,3)14-10-7-8(12)5-6-9(10)13/h5-7H,4,13H2,1-3H3.
What are the key properties of 4-fluoro-2-(2-methylbutan-2-yloxy)aniline?
4-fluoro-2-(2-methylbutan-2-yloxy)aniline has a molecular weight of 197.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-methylbutan-2-yloxy)aniline is sourced from PubChem (CID 62377670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).