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

C15H13BrCl2FN — CID 43126609

IUPAC4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H13BrCl2FN/c1-2-14(9-3-5-11(19)6-4-9)20-15-12(17)7-10(16)8-13(15)18/h3-8,14,20H,2H2,1H3
InChIKeyVCFRREAASJOHOK-UHFFFAOYSA-N
MW377.08 g/mol
LogP6.46
Rot. Bonds4

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

4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline (PubChem CID 43126609) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline
PubChem CID43126609
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline
SMILESCCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C15H13BrCl2FN/c1-2-14(9-3-5-11(19)6-4-9)20-15-12(17)7-10(16)8-13(15)18/h3-8,14,20H,2H2,1H3
InChIKeyVCFRREAASJOHOK-UHFFFAOYSA-N
XLogP6.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline (CID 43126609) is 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline is CCC(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline?
The InChIKey is VCFRREAASJOHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-2-14(9-3-5-11(19)6-4-9)20-15-12(17)7-10(16)8-13(15)18/h3-8,14,20H,2H2,1H3.
What are the key properties of 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline?
4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline has a molecular weight of 377.08 g/mol, XLogP of 6.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[1-(4-fluorophenyl)propyl]aniline is sourced from PubChem (CID 43126609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).