5-fluoro-2-propan-2-yloxy-4-propoxyaniline

C12H18FNO2 — CID 63593869

IUPAC5-fluoro-2-propan-2-yloxy-4-propoxyaniline
SMILESCCCOc1cc(OC(C)C)c(N)cc1F
InChIInChI=1S/C12H18FNO2/c1-4-5-15-11-7-12(16-8(2)3)10(14)6-9(11)13/h6-8H,4-5,14H2,1-3H3
InChIKeyDRMLMERVNAUKPI-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.98
Rot. Bonds5

About 5-fluoro-2-propan-2-yloxy-4-propoxyaniline

5-fluoro-2-propan-2-yloxy-4-propoxyaniline (PubChem CID 63593869) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 5-fluoro-2-propan-2-yloxy-4-propoxyaniline.

Molecular Properties

Compound Name5-fluoro-2-propan-2-yloxy-4-propoxyaniline
PubChem CID63593869
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name5-fluoro-2-propan-2-yloxy-4-propoxyaniline
SMILESCCCOc1cc(OC(C)C)c(N)cc1F
InChIInChI=1S/C12H18FNO2/c1-4-5-15-11-7-12(16-8(2)3)10(14)6-9(11)13/h6-8H,4-5,14H2,1-3H3
InChIKeyDRMLMERVNAUKPI-UHFFFAOYSA-N
XLogP2.98
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
CID 102980387
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
5-fluoro-2-(2-methylsulfanylphenoxy)-4-propoxyaniline
CID 63647609
2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
CID 63594054
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
CID 114671713
4-fluoro-1-N-(2-methylpropyl)-1-N-propan-2-yl-5-propoxybenzene-1,2-diamine
CID 63591731
2-(2-bromo-4-methylphenoxy)-5-fluoro-4-propoxyaniline
CID 63593727
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-propan-2-yloxy-4-propoxyaniline?
The IUPAC name of 5-fluoro-2-propan-2-yloxy-4-propoxyaniline (CID 63593869) is 5-fluoro-2-propan-2-yloxy-4-propoxyaniline.
What is the SMILES notation for 5-fluoro-2-propan-2-yloxy-4-propoxyaniline?
The canonical SMILES for 5-fluoro-2-propan-2-yloxy-4-propoxyaniline is CCCOc1cc(OC(C)C)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-propan-2-yloxy-4-propoxyaniline?
The InChIKey is DRMLMERVNAUKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-4-5-15-11-7-12(16-8(2)3)10(14)6-9(11)13/h6-8H,4-5,14H2,1-3H3.
What are the key properties of 5-fluoro-2-propan-2-yloxy-4-propoxyaniline?
5-fluoro-2-propan-2-yloxy-4-propoxyaniline has a molecular weight of 227.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-propan-2-yloxy-4-propoxyaniline is sourced from PubChem (CID 63593869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).