5-bromo-4-fluoro-2-methyl-N-nonylaniline

C16H25BrFN — CID 107591959

IUPAC5-bromo-4-fluoro-2-methyl-N-nonylaniline
SMILESCCCCCCCCCNc1cc(Br)c(F)cc1C
InChIInChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-9-10-19-16-12-14(17)15(18)11-13(16)2/h11-12,19H,3-10H2,1-2H3
InChIKeyYTOILMCFBPJRCP-UHFFFAOYSA-N
MW330.29 g/mol
LogP6.06
Rot. Bonds9

About 5-bromo-4-fluoro-2-methyl-N-nonylaniline

5-bromo-4-fluoro-2-methyl-N-nonylaniline (PubChem CID 107591959) has the molecular formula C16H25BrFN and a molecular weight of 330.29 g/mol. Its IUPAC name is 5-bromo-4-fluoro-2-methyl-N-nonylaniline.

Molecular Properties

Compound Name5-bromo-4-fluoro-2-methyl-N-nonylaniline
PubChem CID107591959
Molecular FormulaC16H25BrFN
Molecular Weight330.29 g/mol
Exact Mass329.12
IUPAC Name5-bromo-4-fluoro-2-methyl-N-nonylaniline
SMILESCCCCCCCCCNc1cc(Br)c(F)cc1C
InChIInChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-9-10-19-16-12-14(17)15(18)11-13(16)2/h11-12,19H,3-10H2,1-2H3
InChIKeyYTOILMCFBPJRCP-UHFFFAOYSA-N
XLogP6.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.29
LogP ≤ 56.06
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

2,5-dibromo-1-N,4-N-dihexylbenzene-1,4-diamine
CID 132917339
4-(5-bromo-4-fluoro-2-methylanilino)butanoic acid
CID 107591963
4-bromo-N-heptyl-2-methylaniline
CID 43129195
4-fluoro-N-heptyl-2-methylaniline
CID 43129346
N-dodecyl-4-fluoro-2-methylaniline
CID 63489528
4-fluoro-N-hexyl-2-methylaniline
CID 28877875
5-bromo-4-fluoro-2-methyl-N-(3-methylbut-3-enyl)aniline
CID 107591926
5-bromo-N-(2-ethylbutyl)-4-fluoro-2-methylaniline
CID 107591186
butyl 2-(5-bromo-4-fluoro-2-methylanilino)acetate
CID 107591851
5-bromo-4-fluoro-2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 107591892
2,4-difluoro-N-nonylaniline
CID 43129325
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-2-methyl-N-nonylaniline?
The IUPAC name of 5-bromo-4-fluoro-2-methyl-N-nonylaniline (CID 107591959) is 5-bromo-4-fluoro-2-methyl-N-nonylaniline.
What is the SMILES notation for 5-bromo-4-fluoro-2-methyl-N-nonylaniline?
The canonical SMILES for 5-bromo-4-fluoro-2-methyl-N-nonylaniline is CCCCCCCCCNc1cc(Br)c(F)cc1C.
What is the InChIKey of 5-bromo-4-fluoro-2-methyl-N-nonylaniline?
The InChIKey is YTOILMCFBPJRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrFN/c1-3-4-5-6-7-8-9-10-19-16-12-14(17)15(18)11-13(16)2/h11-12,19H,3-10H2,1-2H3.
What are the key properties of 5-bromo-4-fluoro-2-methyl-N-nonylaniline?
5-bromo-4-fluoro-2-methyl-N-nonylaniline has a molecular weight of 330.29 g/mol, XLogP of 6.06, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-2-methyl-N-nonylaniline is sourced from PubChem (CID 107591959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).