4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline

C12H18FNO2 — CID 63593249

IUPAC4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
SMILESCCOc1cc(OC(C)(C)C)c(N)cc1F
InChIInChI=1S/C12H18FNO2/c1-5-15-10-7-11(16-12(2,3)4)9(14)6-8(10)13/h6-7H,5,14H2,1-4H3
InChIKeyNWPJHOPCTIIOAM-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.98
Rot. Bonds3

About 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline

4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline (PubChem CID 63593249) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline.

Molecular Properties

Compound Name4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
PubChem CID63593249
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline
SMILESCCOc1cc(OC(C)(C)C)c(N)cc1F
InChIInChI=1S/C12H18FNO2/c1-5-15-10-7-11(16-12(2,3)4)9(14)6-8(10)13/h6-7H,5,14H2,1-4H3
InChIKeyNWPJHOPCTIIOAM-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.98
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

2-[2-(dimethylamino)-2-methylpropoxy]-4-ethoxy-5-fluoroaniline
CID 79679930
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
2-(2,4-dichlorophenoxy)-4-ethoxy-5-fluoroaniline
CID 63593248
2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline
CID 63591823
4-ethoxy-5-fluoro-2-(2-fluoro-5-methylphenoxy)aniline
CID 64853412
4-ethoxy-5-fluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)benzene-1,2-diamine
CID 63981601
2-cyclohexyloxy-4-ethoxy-5-fluoroaniline
CID 63594138
4-ethoxy-2-ethylsulfanyl-5-fluoroaniline
CID 63592722
2-(3,4-dimethylpyrrolidin-1-yl)-4-ethoxy-5-fluoroaniline
CID 79189086
4-ethoxy-5-fluoro-2-(1-methylpiperidin-4-yl)oxyaniline
CID 63592899

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline?
The IUPAC name of 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline (CID 63593249) is 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline.
What is the SMILES notation for 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline?
The canonical SMILES for 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline is CCOc1cc(OC(C)(C)C)c(N)cc1F.
What is the InChIKey of 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline?
The InChIKey is NWPJHOPCTIIOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-5-15-10-7-11(16-12(2,3)4)9(14)6-8(10)13/h6-7H,5,14H2,1-4H3.
What are the key properties of 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline?
4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline has a molecular weight of 227.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-fluoro-2-[(2-methylpropan-2-yl)oxy]aniline is sourced from PubChem (CID 63593249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).