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

C15H14Br2ClN — CID 82774797

IUPAC4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
SMILESCc1cc(Br)ccc1NC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClN/c1-9-7-11(16)4-6-15(9)19-10(2)13-5-3-12(17)8-14(13)18/h3-8,10,19H,1-2H3
InChIKeyJLTUOOTWHCJLJV-UHFFFAOYSA-N
MW403.55 g/mol
LogP6.35
Rot. Bonds3

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

4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline (PubChem CID 82774797) has the molecular formula C15H14Br2ClN and a molecular weight of 403.55 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
PubChem CID82774797
Molecular FormulaC15H14Br2ClN
Molecular Weight403.55 g/mol
Exact Mass400.92
IUPAC Name4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
SMILESCc1cc(Br)ccc1NC(C)c1ccc(Br)cc1Cl
InChIInChI=1S/C15H14Br2ClN/c1-9-7-11(16)4-6-15(9)19-10(2)13-5-3-12(17)8-14(13)18/h3-8,10,19H,1-2H3
InChIKeyJLTUOOTWHCJLJV-UHFFFAOYSA-N
XLogP6.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321
4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
CID 43082336
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
CID 82962050
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dimethylaniline
CID 82774709
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,4-dimethylaniline
CID 82774264
N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methyl-5-nitroaniline
CID 82774950
N-[1-(4-bromo-2-chlorophenyl)ethyl]-3,5-dichloroaniline
CID 82774360
2-[1-(4-bromo-2-chloroanilino)ethyl]-5-methylphenol
CID 43168129

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline (CID 82774797) is 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline is Cc1cc(Br)ccc1NC(C)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline?
The InChIKey is JLTUOOTWHCJLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClN/c1-9-7-11(16)4-6-15(9)19-10(2)13-5-3-12(17)8-14(13)18/h3-8,10,19H,1-2H3.
What are the key properties of 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline?
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline has a molecular weight of 403.55 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 82774797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).