5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline

C15H24FNO2 — CID 63591961

IUPAC5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
SMILESCCCOc1cc(OCCCC(C)C)c(N)cc1F
InChIInChI=1S/C15H24FNO2/c1-4-7-18-14-10-15(13(17)9-12(14)16)19-8-5-6-11(2)3/h9-11H,4-8,17H2,1-3H3
InChIKeyFEUYWEUHTZGOSM-UHFFFAOYSA-N
MW269.36 g/mol
LogP4.01
Rot. Bonds8

About 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline

5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline (PubChem CID 63591961) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline.

Molecular Properties

Compound Name5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
PubChem CID63591961
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
SMILESCCCOc1cc(OCCCC(C)C)c(N)cc1F
InChIInChI=1S/C15H24FNO2/c1-4-7-18-14-10-15(13(17)9-12(14)16)19-8-5-6-11(2)3/h9-11H,4-8,17H2,1-3H3
InChIKeyFEUYWEUHTZGOSM-UHFFFAOYSA-N
XLogP4.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(2-methylpropoxy)-4-propoxyaniline
CID 63593547
4-ethoxy-5-fluoro-2-(3-methylbutoxy)aniline
CID 63594139
5-fluoro-2-propan-2-yloxy-4-propoxyaniline
CID 63593869
5-fluoro-2-pentan-2-yloxy-4-propoxyaniline
CID 102980387
2-(2-ethylhexoxy)-5-fluoro-4-propoxyaniline
CID 63594054
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
4-butoxy-5-fluorobenzene-1,2-diamine
CID 170437526
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
5-fluoro-2-(2-methylsulfanylphenoxy)-4-propoxyaniline
CID 63647609
4-ethoxy-5-fluoro-2-(2-methoxyethoxy)aniline
CID 63593955
5-fluoro-2-methoxy-4-(2-propoxyphenoxy)aniline
CID 107259802

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline?
The IUPAC name of 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline (CID 63591961) is 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline.
What is the SMILES notation for 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline?
The canonical SMILES for 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline is CCCOc1cc(OCCCC(C)C)c(N)cc1F.
What is the InChIKey of 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline?
The InChIKey is FEUYWEUHTZGOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-4-7-18-14-10-15(13(17)9-12(14)16)19-8-5-6-11(2)3/h9-11H,4-8,17H2,1-3H3.
What are the key properties of 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline?
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline has a molecular weight of 269.36 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline is sourced from PubChem (CID 63591961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).