4-fluoro-N-heptylaniline

C13H20FN — CID 43129312

IUPAC4-fluoro-N-heptylaniline
SMILESCCCCCCCNc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,15H,2-6,11H2,1H3
InChIKeyYLALJMNOAVKWIJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP4.21
Rot. Bonds7

About 4-fluoro-N-heptylaniline

4-fluoro-N-heptylaniline (PubChem CID 43129312) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-fluoro-N-heptylaniline.

Molecular Properties

Compound Name4-fluoro-N-heptylaniline
PubChem CID43129312
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-fluoro-N-heptylaniline
SMILESCCCCCCCNc1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,15H,2-6,11H2,1H3
InChIKeyYLALJMNOAVKWIJ-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-(2-heptoxyethyl)aniline
CID 63505615
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
4-(chloromethyl)-N-hexylaniline
CID 65025803
N-decyl-3-fluoro-4-methylaniline
CID 63488478
4-[4-(octadecylamino)phenyl]aniline
CID 102249845
4-(nonadecylamino)benzaldehyde
CID 20556317
4-(decylamino)benzonitrile
CID 23349332
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
4-N-(4-fluorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142409

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-heptylaniline?
The IUPAC name of 4-fluoro-N-heptylaniline (CID 43129312) is 4-fluoro-N-heptylaniline.
What is the SMILES notation for 4-fluoro-N-heptylaniline?
The canonical SMILES for 4-fluoro-N-heptylaniline is CCCCCCCNc1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-heptylaniline?
The InChIKey is YLALJMNOAVKWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,15H,2-6,11H2,1H3.
What are the key properties of 4-fluoro-N-heptylaniline?
4-fluoro-N-heptylaniline has a molecular weight of 209.31 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-heptylaniline is sourced from PubChem (CID 43129312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).