2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline

C14H12Br2FN — CID 43119409

IUPAC2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1Br)c1ccccc1Br
InChIInChI=1S/C14H12Br2FN/c1-9(11-4-2-3-5-12(11)15)18-14-7-6-10(17)8-13(14)16/h2-9,18H,1H3
InChIKeyVYHNFGZVYRRSHI-UHFFFAOYSA-N
MW373.06 g/mol
LogP5.52
Rot. Bonds3

About 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline

2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline (PubChem CID 43119409) has the molecular formula C14H12Br2FN and a molecular weight of 373.06 g/mol. Its IUPAC name is 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
PubChem CID43119409
Molecular FormulaC14H12Br2FN
Molecular Weight373.06 g/mol
Exact Mass370.93
IUPAC Name2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
SMILESCC(Nc1ccc(F)cc1Br)c1ccccc1Br
InChIInChI=1S/C14H12Br2FN/c1-9(11-4-2-3-5-12(11)15)18-14-7-6-10(17)8-13(14)16/h2-9,18H,1H3
InChIKeyVYHNFGZVYRRSHI-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.06
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
2-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluoroaniline
CID 43119372
2-bromo-4-fluoro-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43772548
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 43674233
(1S)-1-(2-bromophenyl)-N-[1-(2,5-difluorophenyl)ethyl]ethanamine
CID 81383317
2-bromo-N-[1-(5-bromofuran-2-yl)ethyl]-4-fluoroaniline
CID 104652219
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676901

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline (CID 43119409) is 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline is CC(Nc1ccc(F)cc1Br)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline?
The InChIKey is VYHNFGZVYRRSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2FN/c1-9(11-4-2-3-5-12(11)15)18-14-7-6-10(17)8-13(14)16/h2-9,18H,1H3.
What are the key properties of 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline?
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline has a molecular weight of 373.06 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline is sourced from PubChem (CID 43119409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).