N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline

C15H14BrClFN — CID 43755252

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1NC(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrClFN/c1-9-3-5-12(17)8-15(9)19-10(2)11-4-6-14(18)13(16)7-11/h3-8,10,19H,1-2H3
InChIKeyVIQXBLSUHJTKKV-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.72
Rot. Bonds3

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline

N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline (PubChem CID 43755252) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
PubChem CID43755252
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1NC(C)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrClFN/c1-9-3-5-12(17)8-15(9)19-10(2)11-4-6-14(18)13(16)7-11/h3-8,10,19H,1-2H3
InChIKeyVIQXBLSUHJTKKV-UHFFFAOYSA-N
XLogP5.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
5-chloro-2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43102806
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
CID 43757717
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,6-dichloro-4-fluoroaniline
CID 83076232
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-3-chloroaniline
CID 103478235
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylaniline
CID 107630093
5-chloro-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43099949
N-[1-(3-bromo-4-fluorophenyl)ethyl]-3,5-dichloro-4-fluoroaniline
CID 107572700

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline (CID 43755252) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline is Cc1ccc(Cl)cc1NC(C)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline?
The InChIKey is VIQXBLSUHJTKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-3-5-12(17)8-15(9)19-10(2)11-4-6-14(18)13(16)7-11/h3-8,10,19H,1-2H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline has a molecular weight of 342.64 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline is sourced from PubChem (CID 43755252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).