2-fluoro-4-pentylaniline

C11H16FN — CID 146198864

IUPAC2-fluoro-4-pentylaniline
SMILESCCCCCc1ccc(N)c(F)c1
InChIInChI=1S/C11H16FN/c1-2-3-4-5-9-6-7-11(13)10(12)8-9/h6-8H,2-5,13H2,1H3
InChIKeyYAGRIXFVNURJMP-UHFFFAOYSA-N
MW181.25 g/mol
LogP3.14
Rot. Bonds4

About 2-fluoro-4-pentylaniline

2-fluoro-4-pentylaniline (PubChem CID 146198864) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is 2-fluoro-4-pentylaniline.

Molecular Properties

Compound Name2-fluoro-4-pentylaniline
PubChem CID146198864
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name2-fluoro-4-pentylaniline
SMILESCCCCCc1ccc(N)c(F)c1
InChIInChI=1S/C11H16FN/c1-2-3-4-5-9-6-7-11(13)10(12)8-9/h6-8H,2-5,13H2,1H3
InChIKeyYAGRIXFVNURJMP-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]aniline
CID 142281352
4-heptyl-2-methylaniline
CID 23348805
2-chloro-4-heptylaniline
CID 21161447
(2-fluoro-4-pentylphenyl)boronic acid
CID 54278063
2-amino-5-hexylbenzenethiol;zinc
CID 67602653
2-bromo-1-fluoro-4-pentylbenzene
CID 155293840
4-hexyl-2-methoxyaniline
CID 70551686
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447
2-amino-2-(2-fluoro-4-nonylphenyl)ethanol
CID 15007754
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-4-nonylbenzoic acid
CID 57292315
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-pentylaniline?
The IUPAC name of 2-fluoro-4-pentylaniline (CID 146198864) is 2-fluoro-4-pentylaniline.
What is the SMILES notation for 2-fluoro-4-pentylaniline?
The canonical SMILES for 2-fluoro-4-pentylaniline is CCCCCc1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-pentylaniline?
The InChIKey is YAGRIXFVNURJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN/c1-2-3-4-5-9-6-7-11(13)10(12)8-9/h6-8H,2-5,13H2,1H3.
What are the key properties of 2-fluoro-4-pentylaniline?
2-fluoro-4-pentylaniline has a molecular weight of 181.25 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-pentylaniline is sourced from PubChem (CID 146198864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).