5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline

C15H14BrCl2N — CID 43729562

IUPAC5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2N/c1-9-3-5-12(16)8-15(9)19-10(2)11-4-6-13(17)14(18)7-11/h3-8,10,19H,1-2H3
InChIKeyXWRJXFZBRPBMJU-UHFFFAOYSA-N
MW359.09 g/mol
LogP6.24
Rot. Bonds3

About 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline

5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline (PubChem CID 43729562) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline
PubChem CID43729562
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline
SMILESCc1ccc(Br)cc1NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H14BrCl2N/c1-9-3-5-12(16)8-15(9)19-10(2)11-4-6-13(17)14(18)7-11/h3-8,10,19H,1-2H3
InChIKeyXWRJXFZBRPBMJU-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

2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
2,4-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43683136
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194
4-bromo-2,6-dichloro-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 63425757
1-[3-[1-(4-chloro-3-methylphenyl)ethylamino]-4-methylphenyl]ethanol
CID 123702412
5-bromo-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43729368
5-bromo-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylaniline
CID 43729592
5-bromo-2-chloro-N-(1-naphthalen-2-ylethyl)aniline
CID 63478602
5-bromo-2-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]aniline
CID 63478614
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
4-bromo-2-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43347291

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline?
The IUPAC name of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline (CID 43729562) is 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline?
The canonical SMILES for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline is Cc1ccc(Br)cc1NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline?
The InChIKey is XWRJXFZBRPBMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-9-3-5-12(16)8-15(9)19-10(2)11-4-6-13(17)14(18)7-11/h3-8,10,19H,1-2H3.
What are the key properties of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline?
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-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 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 43729562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).