2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline

C14H12BrF2N — CID 107598513

IUPAC2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
SMILESCC(Nc1c(F)cccc1Br)c1ccccc1F
InChIInChI=1S/C14H12BrF2N/c1-9(10-5-2-3-7-12(10)16)18-14-11(15)6-4-8-13(14)17/h2-9,18H,1H3
InChIKeyZEDBSMJEZRMWMY-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.90
Rot. Bonds3

About 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline

2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline (PubChem CID 107598513) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
PubChem CID107598513
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
SMILESCC(Nc1c(F)cccc1Br)c1ccccc1F
InChIInChI=1S/C14H12BrF2N/c1-9(10-5-2-3-7-12(10)16)18-14-11(15)6-4-8-13(14)17/h2-9,18H,1H3
InChIKeyZEDBSMJEZRMWMY-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-propan-2-ylaniline
CID 103747956
2-bromo-6-fluoro-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 107597769
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
2-[1-(2-bromo-6-fluoroanilino)ethyl]-5-methylphenol
CID 107598521
2-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597669
2-bromo-6-[1-(2-fluorophenyl)ethylamino]benzoic acid
CID 114887955
6-bromo-N-[1-(2-fluorophenyl)ethyl]pyridin-3-amine
CID 114051650
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
2-bromo-6-fluoro-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]aniline
CID 107598212
2-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-fluoroaniline
CID 107598304
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
2-bromo-6-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]aniline
CID 107597790

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline?
The IUPAC name of 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline (CID 107598513) is 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline is CC(Nc1c(F)cccc1Br)c1ccccc1F.
What is the InChIKey of 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline?
The InChIKey is ZEDBSMJEZRMWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9(10-5-2-3-7-12(10)16)18-14-11(15)6-4-8-13(14)17/h2-9,18H,1H3.
What are the key properties of 2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline?
2-bromo-6-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline has a molecular weight of 312.16 g/mol, XLogP of 4.90, 3 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-(2-fluorophenyl)ethyl]aniline is sourced from PubChem (CID 107598513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).