2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline

C14H11BrClF2N — CID 43347591

IUPAC2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline
SMILESCC(Nc1c(F)cc(F)cc1Br)c1cccc(Cl)c1
InChIInChI=1S/C14H11BrClF2N/c1-8(9-3-2-4-10(16)5-9)19-14-12(15)6-11(17)7-13(14)18/h2-8,19H,1H3
InChIKeyZLQRMGBVOSUIKK-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.55
Rot. Bonds3

About 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline

2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline (PubChem CID 43347591) has the molecular formula C14H11BrClF2N and a molecular weight of 346.60 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline
PubChem CID43347591
Molecular FormulaC14H11BrClF2N
Molecular Weight346.60 g/mol
Exact Mass344.97
IUPAC Name2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline
SMILESCC(Nc1c(F)cc(F)cc1Br)c1cccc(Cl)c1
InChIInChI=1S/C14H11BrClF2N/c1-8(9-3-2-4-10(16)5-9)19-14-12(15)6-11(17)7-13(14)18/h2-8,19H,1H3
InChIKeyZLQRMGBVOSUIKK-UHFFFAOYSA-N
XLogP5.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(2-bromo-4,6-difluoroanilino)ethyl]benzonitrile
CID 43775061
2-bromo-4,6-difluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83059918
2-bromo-4,6-difluoro-N-(1-pyridin-3-ylethyl)aniline
CID 43347635
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786
N-[1-(3-chlorophenyl)ethyl]-2,6-difluoro-3-methylaniline
CID 82819096
4-[1-(3-chlorophenyl)ethylamino]-3,5-difluorobenzonitrile
CID 78988350
2-bromo-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-4,6-difluoroaniline
CID 43775014
2-bromo-6-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoroaniline
CID 107610390
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]ethanamine
CID 43099530
2,6-dibromo-N-[1-(3-fluorophenyl)ethyl]-4-methylaniline
CID 43126159

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline (CID 43347591) is 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline is CC(Nc1c(F)cc(F)cc1Br)c1cccc(Cl)c1.
What is the InChIKey of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline?
The InChIKey is ZLQRMGBVOSUIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClF2N/c1-8(9-3-2-4-10(16)5-9)19-14-12(15)6-11(17)7-13(14)18/h2-8,19H,1H3.
What are the key properties of 2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline?
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline has a molecular weight of 346.60 g/mol, XLogP of 5.55, 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-(3-chlorophenyl)ethyl]-4,6-difluoroaniline is sourced from PubChem (CID 43347591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).