2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline

C17H19BrFN — CID 107597769

IUPAC2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
SMILESCC(C)c1ccc(C(C)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C17H19BrFN/c1-11(2)13-7-9-14(10-8-13)12(3)20-17-15(18)5-4-6-16(17)19/h4-12,20H,1-3H3
InChIKeyQDRSXBYIEZTYBI-UHFFFAOYSA-N
MW336.25 g/mol
LogP5.88
Rot. Bonds4

About 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline

2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline (PubChem CID 107597769) has the molecular formula C17H19BrFN and a molecular weight of 336.25 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
PubChem CID107597769
Molecular FormulaC17H19BrFN
Molecular Weight336.25 g/mol
Exact Mass335.07
IUPAC Name2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
SMILESCC(C)c1ccc(C(C)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C17H19BrFN/c1-11(2)13-7-9-14(10-8-13)12(3)20-17-15(18)5-4-6-16(17)19/h4-12,20H,1-3H3
InChIKeyQDRSXBYIEZTYBI-UHFFFAOYSA-N
XLogP5.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.25
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-fluoroaniline
CID 107598304
2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 107598513
2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107597790
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromo-6-fluoroaniline
CID 107598516
3-[1-(2-bromo-6-fluoroanilino)ethyl]benzonitrile
CID 107598019
2,6-dibromo-N-(4-propan-2-ylphenyl)aniline
CID 121004901
2,6-dibromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]aniline
CID 107597117
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,6-difluoroaniline
CID 83069531
2-[1-(2-bromo-6-fluoroanilino)ethyl]-5-methylphenol
CID 107598521
2-bromo-6-fluoro-N-(3-methyl-1-phenylbutyl)aniline
CID 107598180
2-bromo-6-fluoro-N-methylaniline
CID 21161540

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The IUPAC name of 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline (CID 107597769) is 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline is CC(C)c1ccc(C(C)Nc2c(F)cccc2Br)cc1.
What is the InChIKey of 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
The InChIKey is QDRSXBYIEZTYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN/c1-11(2)13-7-9-14(10-8-13)12(3)20-17-15(18)5-4-6-16(17)19/h4-12,20H,1-3H3.
What are the key properties of 2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline?
2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline has a molecular weight of 336.25 g/mol, XLogP of 5.88, 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-(4-propan-2-ylphenyl)ethyl]aniline is sourced from PubChem (CID 107597769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).