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

C15H14BrCl2N — CID 104722475

IUPAC2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
SMILESCc1cc(Br)c(NC(C)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H14BrCl2N/c1-9-7-13(16)15(8-14(9)18)19-10(2)11-3-5-12(17)6-4-11/h3-8,10,19H,1-2H3
InChIKeyDWNLOENXGFNLRV-UHFFFAOYSA-N
MW359.09 g/mol
LogP6.24
Rot. Bonds3

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

2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline (PubChem CID 104722475) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
PubChem CID104722475
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline
SMILESCc1cc(Br)c(NC(C)c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C15H14BrCl2N/c1-9-7-13(16)15(8-14(9)18)19-10(2)11-3-5-12(17)6-4-11/h3-8,10,19H,1-2H3
InChIKeyDWNLOENXGFNLRV-UHFFFAOYSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 104722878
2-bromo-5-chloro-N-[1-(3-chlorophenyl)ethyl]-4-methylaniline
CID 104723041
2-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]phenol
CID 104722699
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291
4-[1-(2-bromo-5-chloro-4-methylanilino)ethyl]benzene-1,3-diol
CID 104722788
2-bromo-N-butan-2-yl-5-chloro-4-methylaniline
CID 104722467
2-bromo-5-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]aniline
CID 81271462
2-bromo-5-chloro-4-methyl-N-[1-(2-methylpyrazol-3-yl)ethyl]aniline
CID 106758070
4-chloro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43101529
2,5-dichloro-4-methyl-N-(1-pyridin-4-ylethyl)aniline
CID 104726127
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline
CID 104722681

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline?
The IUPAC name of 2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline (CID 104722475) is 2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline is Cc1cc(Br)c(NC(C)c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline?
The InChIKey is DWNLOENXGFNLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-9-7-13(16)15(8-14(9)18)19-10(2)11-3-5-12(17)6-4-11/h3-8,10,19H,1-2H3.
What are the key properties of 2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline?
2-bromo-5-chloro-N-[1-(4-chlorophenyl)ethyl]-4-methylaniline has a molecular weight of 359.09 g/mol, XLogP of 6.24, 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-chlorophenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 104722475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).