4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline

C17H20FNO — CID 176688686

IUPAC4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline
SMILESCNc1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-17(2,3)12-5-8-14(9-6-12)20-16-10-7-13(19-4)11-15(16)18/h5-11,19H,1-4H3
InChIKeyMLGXDAFCTYHGLA-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.96
Rot. Bonds3

About 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline

4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline (PubChem CID 176688686) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline
PubChem CID176688686
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline
SMILESCNc1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1
InChIInChI=1S/C17H20FNO/c1-17(2,3)12-5-8-14(9-6-12)20-16-10-7-13(19-4)11-15(16)18/h5-11,19H,1-4H3
InChIKeyMLGXDAFCTYHGLA-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenoxy)-2,4-difluorobenzene
CID 70799684
4-(4-tert-butylphenoxy)-N-methylaniline
CID 83549428
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
4-tert-butyl-1-(3,4-difluorophenoxy)-2-fluorobenzene
CID 167344163
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
4-(4-tert-butylphenoxy)-3-fluoro-N,N-dimethylbenzamide
CID 146306005
3-chloro-4-(4-chlorophenoxy)-N-methylaniline
CID 153365322
4-ethoxy-3-fluoro-N-methylaniline
CID 68516738
2-(4-tert-butylphenoxy)-5-fluoroaniline
CID 26189672
2-[[3-fluoro-4-(4-methoxyphenoxy)anilino]methylidene]propanedinitrile
CID 168543016
4-[4-(1,1-difluoroethyl)phenoxy]-3-fluoro-N,N-dimethylbenzamide
CID 162134350
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline?
The IUPAC name of 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline (CID 176688686) is 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline?
The canonical SMILES for 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline is CNc1ccc(Oc2ccc(C(C)(C)C)cc2)c(F)c1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline?
The InChIKey is MLGXDAFCTYHGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-17(2,3)12-5-8-14(9-6-12)20-16-10-7-13(19-4)11-15(16)18/h5-11,19H,1-4H3.
What are the key properties of 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline?
4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline has a molecular weight of 273.35 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-3-fluoro-N-methylaniline is sourced from PubChem (CID 176688686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).