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

C15H14BrCl2N — CID 82761651

IUPAC2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(Br)c(NC(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14BrCl2N/c1-9-3-6-13(16)15(7-9)19-10(2)12-5-4-11(17)8-14(12)18/h3-8,10,19H,1-2H3
InChIKeyZQOFREUFFRNJJE-UHFFFAOYSA-N
MW359.09 g/mol
LogP6.24
Rot. Bonds3

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

2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline (PubChem CID 82761651) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
PubChem CID82761651
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline
SMILESCc1ccc(Br)c(NC(C)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C15H14BrCl2N/c1-9-3-6-13(16)15(7-9)19-10(2)12-5-4-11(17)8-14(12)18/h3-8,10,19H,1-2H3
InChIKeyZQOFREUFFRNJJE-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-[1-(2-bromo-5-chloroanilino)ethyl]-4-methylphenol
CID 81270628
2,5-dibromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]aniline
CID 82774723
2,4-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43683199
2-[1-(2,4-dichlorophenyl)ethylamino]-4-methylbenzenecarbothioamide
CID 63520103
2-bromo-N-[1-(3-chlorophenyl)ethyl]-5-methylaniline
CID 82761850
2-bromo-N-[1-(2-chloro-4-fluorophenyl)ethyl]-5-fluoroaniline
CID 107633412
4-bromo-2-chloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43347271
2,4-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43105982
2-[1-(2,4-dichlorophenyl)ethylamino]-5-methylbenzoic acid
CID 63528171
2,5-dibromo-N-[1-(2,4-dimethylphenyl)ethyl]aniline
CID 43736793
2-bromo-5-chloro-N-[1-(2,4,6-trimethylphenyl)ethyl]aniline
CID 81271218
4-[1-(2-bromo-5-chloroanilino)ethyl]benzene-1,3-diol
CID 81270634

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline?
The IUPAC name of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline (CID 82761651) is 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline is Cc1ccc(Br)c(NC(C)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline?
The InChIKey is ZQOFREUFFRNJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-9-3-6-13(16)15(7-9)19-10(2)12-5-4-11(17)8-14(12)18/h3-8,10,19H,1-2H3.
What are the key properties of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline?
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-5-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-N-[1-(2,4-dichlorophenyl)ethyl]-5-methylaniline is sourced from PubChem (CID 82761651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).