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

C15H14BrClFN — CID 104722878

IUPAC2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1cc(Br)c(NC(C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H14BrClFN/c1-9-7-13(16)15(8-14(9)17)19-10(2)11-3-5-12(18)6-4-11/h3-8,10,19H,1-2H3
InChIKeyVQMJMWVGMWHJAS-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.72
Rot. Bonds3

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

2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline (PubChem CID 104722878) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
PubChem CID104722878
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1cc(Br)c(NC(C)c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C15H14BrClFN/c1-9-7-13(16)15(8-14(9)17)19-10(2)11-3-5-12(18)6-4-11/h3-8,10,19H,1-2H3
InChIKeyVQMJMWVGMWHJAS-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

2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
CID 104722475
2-bromo-5-chloro-N-[1-(3-chlorophenyl)ethyl]-4-methylaniline
CID 104723041
2-(2-bromo-5-chloro-4-methylanilino)-1-(4-fluorophenyl)ethanol
CID 104723407
2-chloro-4-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43088282
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-iodoaniline
CID 114258705
N-[1-(4-bromophenyl)ethyl]-2-chloro-4-fluoroaniline
CID 43150522
2-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]phenol
CID 104722699
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
4-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]benzene-1,3-diol
CID 104722788
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
4-chloro-2-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43226871

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The IUPAC name of 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline (CID 104722878) is 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline is Cc1cc(Br)c(NC(C)c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The InChIKey is VQMJMWVGMWHJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-9-7-13(16)15(8-14(9)17)19-10(2)11-3-5-12(18)6-4-11/h3-8,10,19H,1-2H3.
What are the key properties of 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-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 2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 104722878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).