N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline

C14H12BrF2N — CID 43195353

IUPACN-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
SMILESCC(Nc1ccc(F)cc1F)c1ccccc1Br
InChIInChI=1S/C14H12BrF2N/c1-9(11-4-2-3-5-12(11)15)18-14-7-6-10(16)8-13(14)17/h2-9,18H,1H3
InChIKeyBGRMGCFATPBRTF-UHFFFAOYSA-N
MW312.16 g/mol
LogP4.90
Rot. Bonds3

About N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline

N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline (PubChem CID 43195353) has the molecular formula C14H12BrF2N and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
PubChem CID43195353
Molecular FormulaC14H12BrF2N
Molecular Weight312.16 g/mol
Exact Mass311.01
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
SMILESCC(Nc1ccc(F)cc1F)c1ccccc1Br
InChIInChI=1S/C14H12BrF2N/c1-9(11-4-2-3-5-12(11)15)18-14-7-6-10(16)8-13(14)17/h2-9,18H,1H3
InChIKeyBGRMGCFATPBRTF-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-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
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-(2-bromophenyl)ethyl]aniline
CID 43103209
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
2-[1-(2-bromo-5-fluoroanilino)ethyl]phenol
CID 107633370
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365
2-[1-(4-bromo-2,5-difluoroanilino)ethyl]-4-fluorophenol
CID 107610013
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,4-difluoroaniline
CID 43121314

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline (CID 43195353) is N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline is CC(Nc1ccc(F)cc1F)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline?
The InChIKey is BGRMGCFATPBRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N/c1-9(11-4-2-3-5-12(11)15)18-14-7-6-10(16)8-13(14)17/h2-9,18H,1H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline?
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline 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 N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline is sourced from PubChem (CID 43195353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).