2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline

C15H13Br3FN — CID 114828434

IUPAC2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C15H13Br3FN/c1-9(6-10-4-2-3-5-14(10)19)20-15-12(17)7-11(16)8-13(15)18/h2-5,7-9,20H,6H2,1H3
InChIKeyRXNIKHRCRALCFI-UHFFFAOYSA-N
MW465.99 g/mol
LogP6.16
Rot. Bonds4

About 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline

2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline (PubChem CID 114828434) has the molecular formula C15H13Br3FN and a molecular weight of 465.99 g/mol. Its IUPAC name is 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
PubChem CID114828434
Molecular FormulaC15H13Br3FN
Molecular Weight465.99 g/mol
Exact Mass462.86
IUPAC Name2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1ccccc1F)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C15H13Br3FN/c1-9(6-10-4-2-3-5-14(10)19)20-15-12(17)7-11(16)8-13(15)18/h2-5,7-9,20H,6H2,1H3
InChIKeyRXNIKHRCRALCFI-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.99
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-4-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114830625
2,4,6-trichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828437
2-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-6-methylaniline
CID 114830872
4-bromo-2,3-dichloro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 107787388
2-bromo-4,6-difluoro-N-[1-(2-methoxyphenyl)propan-2-yl]aniline
CID 43775031
2,5-difluoro-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828016
2-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114829049
4-[2-(2,4,6-tribromoanilino)propyl]phenol
CID 115494008
3-bromo-N-[1-(2-fluorophenyl)propan-2-yl]-2-(methoxymethyl)aniline
CID 114829477
N-[1-(2-fluorophenyl)propan-2-yl]-3-iodoaniline
CID 114828426
2-tert-butyl-N-[1-(2-fluorophenyl)propan-2-yl]aniline
CID 114828604
3-fluoro-N-[1-(2-fluorophenyl)propan-2-yl]-4-nitroaniline
CID 114830485

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline (CID 114828434) is 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline is CC(Cc1ccccc1F)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
The InChIKey is RXNIKHRCRALCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br3FN/c1-9(6-10-4-2-3-5-14(10)19)20-15-12(17)7-11(16)8-13(15)18/h2-5,7-9,20H,6H2,1H3.
What are the key properties of 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline?
2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline has a molecular weight of 465.99 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tribromo-N-[1-(2-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114828434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).