2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline

C15H14BrF2N — CID 107598358

IUPAC2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1c(F)cccc1Br
InChIInChI=1S/C15H14BrF2N/c1-10(8-11-4-2-5-12(17)9-11)19-15-13(16)6-3-7-14(15)18/h2-7,9-10,19H,8H2,1H3
InChIKeyBABAXODGRTYTKU-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.77
Rot. Bonds4

About 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline

2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline (PubChem CID 107598358) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
PubChem CID107598358
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1c(F)cccc1Br
InChIInChI=1S/C15H14BrF2N/c1-10(8-11-4-2-5-12(17)9-11)19-15-13(16)6-3-7-14(15)18/h2-7,9-10,19H,8H2,1H3
InChIKeyBABAXODGRTYTKU-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114829992
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114830635
2-bromo-N-[1-(3-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827902
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2-bromo-6-fluoro-N-nonan-2-ylaniline
CID 107597794
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
1-(2-bromo-6-fluorophenyl)-2-(3-fluorophenyl)ethanamine
CID 114559896
1-N-[1-(3-fluorophenyl)propan-2-yl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 115921727
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
4-[1-(3-fluorophenyl)propan-2-ylamino]benzoic acid
CID 114828452

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline (CID 107598358) is 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline is CC(Cc1cccc(F)c1)Nc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The InChIKey is BABAXODGRTYTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(8-11-4-2-5-12(17)9-11)19-15-13(16)6-3-7-14(15)18/h2-7,9-10,19H,8H2,1H3.
What are the key properties of 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline has a molecular weight of 326.18 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 107598358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).