2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline

C15H14Br2FN — CID 107597224

IUPAC2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1c(Br)cccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H14Br2FN/c1-2-14(10-6-8-11(18)9-7-10)19-15-12(16)4-3-5-13(15)17/h3-9,14,19H,2H2,1H3
InChIKeyOARSCJHJKKHSRA-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.91
Rot. Bonds4

About 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline

2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline (PubChem CID 107597224) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
PubChem CID107597224
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1c(Br)cccc1Br)c1ccc(F)cc1
InChIInChI=1S/C15H14Br2FN/c1-2-14(10-6-8-11(18)9-7-10)19-15-12(16)4-3-5-13(15)17/h3-9,14,19H,2H2,1H3
InChIKeyOARSCJHJKKHSRA-UHFFFAOYSA-N
XLogP5.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.09
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-[1-(4-methoxyphenyl)propyl]aniline
CID 107598084
3-bromo-N-[1-(4-fluorophenyl)propyl]aniline
CID 43098307
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
6-bromo-N-[1-(4-fluorophenyl)propyl]pyridin-3-amine
CID 114051614
N-[1-(2-bromophenyl)ethyl]-1-(4-fluorophenyl)propan-1-amine
CID 43680068
3-fluoro-N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 55194278
2,6-dibromo-N-pentan-3-ylaniline
CID 107597667
N-[1-(4-fluorophenyl)propyl]-2-methylaniline
CID 43106862
N-[1-(4-fluorophenyl)propyl]-3,5-dimethyl-1H-pyrazol-4-amine
CID 43547306
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
2-bromo-6-chloro-N-[1-(4-ethylphenyl)propyl]-4-fluoroaniline
CID 107610073
2,4-difluoro-N-[1-(4-fluorophenyl)propyl]aniline
CID 43095155

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline?
The IUPAC name of 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline (CID 107597224) is 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline.
What is the SMILES notation for 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline?
The canonical SMILES for 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline is CCC(Nc1c(Br)cccc1Br)c1ccc(F)cc1.
What is the InChIKey of 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline?
The InChIKey is OARSCJHJKKHSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-2-14(10-6-8-11(18)9-7-10)19-15-12(16)4-3-5-13(15)17/h3-9,14,19H,2H2,1H3.
What are the key properties of 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline?
2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline has a molecular weight of 387.09 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-[1-(4-fluorophenyl)propyl]aniline is sourced from PubChem (CID 107597224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).