2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline

C14H12BrF2N — CID 43194501

IUPAC2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H12BrF2N/c1-9(11-7-6-10(16)8-13(11)17)18-14-5-3-2-4-12(14)15/h2-9,18H,1H3
InChIKeySSBFAKMIVBUUPB-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.90
Rot. Bonds3

About 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline

2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline (PubChem CID 43194501) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
PubChem CID43194501
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC Name2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
SMILESCC(Nc1ccccc1Br)c1ccc(F)cc1F
InChIInChI=1S/C14H12BrF2N/c1-9(11-7-6-10(16)8-13(11)17)18-14-5-3-2-4-12(14)15/h2-9,18H,1H3
InChIKeySSBFAKMIVBUUPB-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

N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
N-[1-(2,4-difluorophenyl)ethyl]-2,5-difluoroaniline
CID 43192585
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
N-[1-(2,4-difluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 62810510
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
N-[1-(2,4-difluorophenyl)ethyl]-4-fluoroaniline
CID 43194675
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818
N-[1-(2,4-difluorophenyl)ethyl]quinolin-8-amine
CID 43191671
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline?
The IUPAC name of 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline (CID 43194501) is 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline.
What is the SMILES notation for 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline?
The canonical SMILES for 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline is CC(Nc1ccccc1Br)c1ccc(F)cc1F.
What is the InChIKey of 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline?
The InChIKey is SSBFAKMIVBUUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9(11-7-6-10(16)8-13(11)17)18-14-5-3-2-4-12(14)15/h2-9,18H,1H3.
What are the key properties of 2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline?
2-bromo-N-[1-(2,4-difluorophenyl)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-N-[1-(2,4-difluorophenyl)ethyl]aniline is sourced from PubChem (CID 43194501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).