2-bromo-6-fluoro-N-nonan-2-ylaniline

C15H23BrFN — CID 107597794

IUPAC2-bromo-6-fluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1c(F)cccc1Br
InChIInChI=1S/C15H23BrFN/c1-3-4-5-6-7-9-12(2)18-15-13(16)10-8-11-14(15)17/h8,10-12,18H,3-7,9H2,1-2H3
InChIKeyNHGGPAMMFNEDMX-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.75
Rot. Bonds8

About 2-bromo-6-fluoro-N-nonan-2-ylaniline

2-bromo-6-fluoro-N-nonan-2-ylaniline (PubChem CID 107597794) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-nonan-2-ylaniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-nonan-2-ylaniline
PubChem CID107597794
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name2-bromo-6-fluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1c(F)cccc1Br
InChIInChI=1S/C15H23BrFN/c1-3-4-5-6-7-9-12(2)18-15-13(16)10-8-11-14(15)17/h8,10-12,18H,3-7,9H2,1-2H3
InChIKeyNHGGPAMMFNEDMX-UHFFFAOYSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.26
LogP ≤ 55.75
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

2,6-difluoro-N-octan-2-ylaniline
CID 11356906
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890
2-bromo-N-nonan-2-ylaniline
CID 43129843
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
3-fluoro-2-iodo-N-octan-2-ylaniline
CID 114258341
2,3,5,6-tetrafluoro-N-nonan-2-ylaniline
CID 107643577
2,6-dichloro-N-octan-2-ylaniline
CID 65469716
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
N-[1-(2,6-difluorophenyl)ethyl]octan-2-amine
CID 43746058
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
4-bromo-2-fluoro-N-nonan-2-ylaniline
CID 63419505
2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 107598358

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-nonan-2-ylaniline?
The IUPAC name of 2-bromo-6-fluoro-N-nonan-2-ylaniline (CID 107597794) is 2-bromo-6-fluoro-N-nonan-2-ylaniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-nonan-2-ylaniline?
The canonical SMILES for 2-bromo-6-fluoro-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-nonan-2-ylaniline?
The InChIKey is NHGGPAMMFNEDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-3-4-5-6-7-9-12(2)18-15-13(16)10-8-11-14(15)17/h8,10-12,18H,3-7,9H2,1-2H3.
What are the key properties of 2-bromo-6-fluoro-N-nonan-2-ylaniline?
2-bromo-6-fluoro-N-nonan-2-ylaniline has a molecular weight of 316.26 g/mol, XLogP of 5.75, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-nonan-2-ylaniline is sourced from PubChem (CID 107597794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).