4-fluoro-N-hexyl-2-methylaniline

C13H20FN — CID 28877875

IUPAC4-fluoro-N-hexyl-2-methylaniline
SMILESCCCCCCNc1ccc(F)cc1C
InChIInChI=1S/C13H20FN/c1-3-4-5-6-9-15-13-8-7-12(14)10-11(13)2/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyDOOJYXOFSFMJCV-UHFFFAOYSA-N
MW209.31 g/mol
LogP4.13
Rot. Bonds6

About 4-fluoro-N-hexyl-2-methylaniline

4-fluoro-N-hexyl-2-methylaniline (PubChem CID 28877875) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 4-fluoro-N-hexyl-2-methylaniline.

Molecular Properties

Compound Name4-fluoro-N-hexyl-2-methylaniline
PubChem CID28877875
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name4-fluoro-N-hexyl-2-methylaniline
SMILESCCCCCCNc1ccc(F)cc1C
InChIInChI=1S/C13H20FN/c1-3-4-5-6-9-15-13-8-7-12(14)10-11(13)2/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyDOOJYXOFSFMJCV-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.13
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-fluoro-N-heptyl-2-methylaniline
CID 43129346
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
2,4-difluoro-N-nonylaniline
CID 43129325
2,5-difluoro-N-hexylaniline
CID 28877091
4-bromo-N-heptyl-2-methylaniline
CID 43129195
4-methoxy-2-methyl-N-nonylaniline
CID 63492120
N-(3,3-dimethylbutyl)-4-fluoro-2-methylaniline
CID 60679968
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
methyl 5-fluoro-2-(octylamino)benzoate
CID 43735445
N-butyl-2-(4-fluoro-2-methylanilino)acetamide
CID 60672489
4-fluoro-N-heptylaniline
CID 43129312
4-(heptylamino)-3-methylbenzamide
CID 43706885

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hexyl-2-methylaniline?
The IUPAC name of 4-fluoro-N-hexyl-2-methylaniline (CID 28877875) is 4-fluoro-N-hexyl-2-methylaniline.
What is the SMILES notation for 4-fluoro-N-hexyl-2-methylaniline?
The canonical SMILES for 4-fluoro-N-hexyl-2-methylaniline is CCCCCCNc1ccc(F)cc1C.
What is the InChIKey of 4-fluoro-N-hexyl-2-methylaniline?
The InChIKey is DOOJYXOFSFMJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-4-5-6-9-15-13-8-7-12(14)10-11(13)2/h7-8,10,15H,3-6,9H2,1-2H3.
What are the key properties of 4-fluoro-N-hexyl-2-methylaniline?
4-fluoro-N-hexyl-2-methylaniline has a molecular weight of 209.31 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hexyl-2-methylaniline is sourced from PubChem (CID 28877875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).