4-bromo-2-fluoro-N-nonan-2-ylaniline

C15H23BrFN — CID 63419505

IUPAC4-bromo-2-fluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H23BrFN/c1-3-4-5-6-7-8-12(2)18-15-10-9-13(16)11-14(15)17/h9-12,18H,3-8H2,1-2H3
InChIKeyTUYRIUJEOKFIRV-UHFFFAOYSA-N
MW316.26 g/mol
LogP5.75
Rot. Bonds8

About 4-bromo-2-fluoro-N-nonan-2-ylaniline

4-bromo-2-fluoro-N-nonan-2-ylaniline (PubChem CID 63419505) has the molecular formula C15H23BrFN and a molecular weight of 316.26 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-nonan-2-ylaniline.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-nonan-2-ylaniline
PubChem CID63419505
Molecular FormulaC15H23BrFN
Molecular Weight316.26 g/mol
Exact Mass315.10
IUPAC Name4-bromo-2-fluoro-N-nonan-2-ylaniline
SMILESCCCCCCCC(C)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H23BrFN/c1-3-4-5-6-7-8-12(2)18-15-10-9-13(16)11-14(15)17/h9-12,18H,3-8H2,1-2H3
InChIKeyTUYRIUJEOKFIRV-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

5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
2-fluoro-4-methyl-N-octan-2-ylaniline
CID 43130115
2,4-difluoro-N-heptan-2-ylaniline
CID 43095629
2-bromo-4-fluoro-N-heptan-2-ylaniline
CID 43119311
N-[(4-bromo-2-fluorophenyl)methyl]octan-2-amine
CID 43220783
4-bromo-2-fluoro-N-heptan-4-ylaniline
CID 28517550
2-bromo-5-fluoro-N-octan-2-ylaniline
CID 107632967
2,5-difluoro-N-nonan-2-ylaniline
CID 43129763
5-chloro-2-fluoro-N-nonan-2-ylaniline
CID 43381901
N-[(5-bromo-2-fluorophenyl)methyl]nonan-2-amine
CID 63455979
2-bromo-5-chloro-N-octan-2-ylaniline
CID 81270708
2,4-dichloro-N-nonan-2-ylaniline
CID 55199008

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-nonan-2-ylaniline?
The IUPAC name of 4-bromo-2-fluoro-N-nonan-2-ylaniline (CID 63419505) is 4-bromo-2-fluoro-N-nonan-2-ylaniline.
What is the SMILES notation for 4-bromo-2-fluoro-N-nonan-2-ylaniline?
The canonical SMILES for 4-bromo-2-fluoro-N-nonan-2-ylaniline is CCCCCCCC(C)Nc1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-nonan-2-ylaniline?
The InChIKey is TUYRIUJEOKFIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrFN/c1-3-4-5-6-7-8-12(2)18-15-10-9-13(16)11-14(15)17/h9-12,18H,3-8H2,1-2H3.
What are the key properties of 4-bromo-2-fluoro-N-nonan-2-ylaniline?
4-bromo-2-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 4-bromo-2-fluoro-N-nonan-2-ylaniline is sourced from PubChem (CID 63419505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).