4-fluoro-2-(4-methylpentoxy)aniline

C12H18FNO — CID 62377671

IUPAC4-fluoro-2-(4-methylpentoxy)aniline
SMILESCC(C)CCCOc1cc(F)ccc1N
InChIInChI=1S/C12H18FNO/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9H,3-4,7,14H2,1-2H3
InChIKeyMFZDQFWORGXKDV-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.22
Rot. Bonds5

About 4-fluoro-2-(4-methylpentoxy)aniline

4-fluoro-2-(4-methylpentoxy)aniline (PubChem CID 62377671) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-fluoro-2-(4-methylpentoxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(4-methylpentoxy)aniline
PubChem CID62377671
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-fluoro-2-(4-methylpentoxy)aniline
SMILESCC(C)CCCOc1cc(F)ccc1N
InChIInChI=1S/C12H18FNO/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9H,3-4,7,14H2,1-2H3
InChIKeyMFZDQFWORGXKDV-UHFFFAOYSA-N
XLogP3.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-fluoro-2-[2-(2-methylpropoxy)ethoxy]aniline
CID 106446718
4-fluoro-2-octoxyaniline
CID 43128998
4-fluoro-2-methyl-1-(4-methylpentoxy)benzene
CID 83168738
1-(4-chlorobut-1-ynyl)-4-fluoro-2-(4-methylpentoxy)benzene
CID 83161823
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
5-fluoro-2-[2-(3-methylbutoxy)ethoxy]aniline
CID 62368345
5-fluoro-2-(4-methylpentoxy)-4-propoxyaniline
CID 63591961
2-(2-amino-2-methylpropoxy)-4-fluoroaniline
CID 117095575
4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
4-fluoro-2-[2-(4-methoxyphenyl)ethoxy]aniline
CID 65431768
5-fluoro-2-(3-methylbutyl)aniline
CID 105439652
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methylpentoxy)aniline?
The IUPAC name of 4-fluoro-2-(4-methylpentoxy)aniline (CID 62377671) is 4-fluoro-2-(4-methylpentoxy)aniline.
What is the SMILES notation for 4-fluoro-2-(4-methylpentoxy)aniline?
The canonical SMILES for 4-fluoro-2-(4-methylpentoxy)aniline is CC(C)CCCOc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(4-methylpentoxy)aniline?
The InChIKey is MFZDQFWORGXKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-9(2)4-3-7-15-12-8-10(13)5-6-11(12)14/h5-6,8-9H,3-4,7,14H2,1-2H3.
What are the key properties of 4-fluoro-2-(4-methylpentoxy)aniline?
4-fluoro-2-(4-methylpentoxy)aniline has a molecular weight of 211.28 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methylpentoxy)aniline is sourced from PubChem (CID 62377671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).