2,6-dibromo-4-fluoro-N-pentylaniline

C11H14Br2FN — CID 69428325

IUPAC2,6-dibromo-4-fluoro-N-pentylaniline
SMILESCCCCCNc1c(Br)cc(F)cc1Br
InChIInChI=1S/C11H14Br2FN/c1-2-3-4-5-15-11-9(12)6-8(14)7-10(11)13/h6-7,15H,2-5H2,1H3
InChIKeyCGKFANDPEKPAIN-UHFFFAOYSA-N
MW339.05 g/mol
LogP4.95
Rot. Bonds5

About 2,6-dibromo-4-fluoro-N-pentylaniline

2,6-dibromo-4-fluoro-N-pentylaniline (PubChem CID 69428325) has the molecular formula C11H14Br2FN and a molecular weight of 339.05 g/mol. Its IUPAC name is 2,6-dibromo-4-fluoro-N-pentylaniline.

Molecular Properties

Compound Name2,6-dibromo-4-fluoro-N-pentylaniline
PubChem CID69428325
Molecular FormulaC11H14Br2FN
Molecular Weight339.05 g/mol
Exact Mass336.95
IUPAC Name2,6-dibromo-4-fluoro-N-pentylaniline
SMILESCCCCCNc1c(Br)cc(F)cc1Br
InChIInChI=1S/C11H14Br2FN/c1-2-3-4-5-15-11-9(12)6-8(14)7-10(11)13/h6-7,15H,2-5H2,1H3
InChIKeyCGKFANDPEKPAIN-UHFFFAOYSA-N
XLogP4.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.05
LogP ≤ 54.95
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-bromo-4,6-difluoro-N-pentylaniline
CID 43347538
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
2,6-dibromo-N-decylaniline
CID 107599083
3-bromo-N-dodecyl-4-fluoroaniline
CID 104777613
N-(2-bromo-4,6-difluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525080
2,5-dibromo-1-N,4-N-dihexylbenzene-1,4-diamine
CID 132917339
4-bromo-2,6-dichloro-N-pentylaniline
CID 28992958
2-bromo-4,6-difluoro-N-undecan-6-ylaniline
CID 63423408
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
methyl 3,5-dibromo-2-(hexylamino)benzoate
CID 63451536
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-fluoro-N-pentylaniline?
The IUPAC name of 2,6-dibromo-4-fluoro-N-pentylaniline (CID 69428325) is 2,6-dibromo-4-fluoro-N-pentylaniline.
What is the SMILES notation for 2,6-dibromo-4-fluoro-N-pentylaniline?
The canonical SMILES for 2,6-dibromo-4-fluoro-N-pentylaniline is CCCCCNc1c(Br)cc(F)cc1Br.
What is the InChIKey of 2,6-dibromo-4-fluoro-N-pentylaniline?
The InChIKey is CGKFANDPEKPAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br2FN/c1-2-3-4-5-15-11-9(12)6-8(14)7-10(11)13/h6-7,15H,2-5H2,1H3.
What are the key properties of 2,6-dibromo-4-fluoro-N-pentylaniline?
2,6-dibromo-4-fluoro-N-pentylaniline has a molecular weight of 339.05 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-fluoro-N-pentylaniline is sourced from PubChem (CID 69428325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).