5-fluoro-2-pentan-2-yloxy-4-propoxyaniline

C14H22FNO2 — CID 102980387

IUPAC5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
SMILESCCCOc1cc(OC(C)CCC)c(N)cc1F
InChIInChI=1S/C14H22FNO2/c1-4-6-10(3)18-14-9-13(17-7-5-2)11(15)8-12(14)16/h8-10H,4-7,16H2,1-3H3
InChIKeyZOLSWGCMHRSLOB-UHFFFAOYSA-N
MW255.33 g/mol
LogP3.76
Rot. Bonds7

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

5-fluoro-2-pentan-2-yloxy-4-propoxyaniline (PubChem CID 102980387) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline.

Molecular Properties

Compound Name5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
PubChem CID102980387
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
SMILESCCCOc1cc(OC(C)CCC)c(N)cc1F
InChIInChI=1S/C14H22FNO2/c1-4-6-10(3)18-14-9-13(17-7-5-2)11(15)8-12(14)16/h8-10H,4-7,16H2,1-3H3
InChIKeyZOLSWGCMHRSLOB-UHFFFAOYSA-N
XLogP3.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 53.76
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-propan-2-yloxy-4-propoxyaniline
CID 63593869
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
5-chloro-4-fluoro-2-pentan-2-yloxyaniline
CID 102980349
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
CID 63594054
4-fluoro-1-N-hexan-3-yl-5-propoxybenzene-1,2-diamine
CID 63592455
5-fluoro-2-(2-methylsulfanylphenoxy)-4-propoxyaniline
CID 63647609
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
4-fluoro-1-N-(2-methylpropyl)-1-N-propan-2-yl-5-propoxybenzene-1,2-diamine
CID 63591731
2-(5-bromo-2-fluorophenoxy)-5-fluoro-4-propoxyaniline
CID 114671713

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline?
The IUPAC name of 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline (CID 102980387) is 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline.
What is the SMILES notation for 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline?
The canonical SMILES for 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline is CCCOc1cc(OC(C)CCC)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline?
The InChIKey is ZOLSWGCMHRSLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-4-6-10(3)18-14-9-13(17-7-5-2)11(15)8-12(14)16/h8-10H,4-7,16H2,1-3H3.
What are the key properties of 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline?
5-fluoro-2-pentan-2-yloxy-4-propoxyaniline has a molecular weight of 255.33 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-pentan-2-yloxy-4-propoxyaniline is sourced from PubChem (CID 102980387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).