4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline

C17H20FNO2 — CID 28972699

IUPAC4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline
SMILESCOc1ccc(Oc2ccc(N)cc2F)c(C(C)(C)C)c1
InChIInChI=1S/C17H20FNO2/c1-17(2,3)13-10-12(20-4)6-8-15(13)21-16-7-5-11(19)9-14(16)18/h5-10H,19H2,1-4H3
InChIKeyXNSCARGALWTCIF-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.51
Rot. Bonds3

About 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline

4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline (PubChem CID 28972699) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline.

Molecular Properties

Compound Name4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline
PubChem CID28972699
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline
SMILESCOc1ccc(Oc2ccc(N)cc2F)c(C(C)(C)C)c1
InChIInChI=1S/C17H20FNO2/c1-17(2,3)13-10-12(20-4)6-8-15(13)21-16-7-5-11(19)9-14(16)18/h5-10H,19H2,1-4H3
InChIKeyXNSCARGALWTCIF-UHFFFAOYSA-N
XLogP4.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-(2-tert-butyl-4-methoxyphenoxy)pyridin-3-amine
CID 79530705
4-(4-aminophenoxy)-3-fluoroaniline
CID 66486728
2-(2-tert-butyl-4-methoxyphenoxy)pyrimidin-4-amine
CID 116797637
6-(2-tert-butyl-4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80866188
3-fluoro-4-(4-iodophenoxy)aniline
CID 43144708
4-(2-tert-butyl-4-methoxyphenoxy)-5-chloropyrimidin-2-amine
CID 80867099
4-[(2-bromo-5-methoxyphenyl)methoxy]-3-fluoroaniline
CID 65322224
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
(2-tert-butyl-4-methoxyphenoxy)-dichlorophosphane
CID 15051117
bis(2-tert-butyl-4-methoxyphenyl) carbonate
CID 168985154
[6-(2-tert-butyl-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 62298299
1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline?
The IUPAC name of 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline (CID 28972699) is 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline.
What is the SMILES notation for 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline?
The canonical SMILES for 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline is COc1ccc(Oc2ccc(N)cc2F)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline?
The InChIKey is XNSCARGALWTCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-17(2,3)13-10-12(20-4)6-8-15(13)21-16-7-5-11(19)9-14(16)18/h5-10H,19H2,1-4H3.
What are the key properties of 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline?
4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline has a molecular weight of 289.35 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butyl-4-methoxyphenoxy)-3-fluoroaniline is sourced from PubChem (CID 28972699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).