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

C15H13BrCl2FN — CID 107591194

IUPAC5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13BrCl2FN/c1-8-5-14(19)11(16)7-15(8)20-9(2)10-3-4-12(17)13(18)6-10/h3-7,9,20H,1-2H3
InChIKeyIEUCCGHYQOOWTC-UHFFFAOYSA-N
MW377.08 g/mol
LogP6.38
Rot. Bonds3

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

5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline (PubChem CID 107591194) has the molecular formula C15H13BrCl2FN and a molecular weight of 377.08 g/mol. Its IUPAC name is 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
PubChem CID107591194
Molecular FormulaC15H13BrCl2FN
Molecular Weight377.08 g/mol
Exact Mass374.96
IUPAC Name5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13BrCl2FN/c1-8-5-14(19)11(16)7-15(8)20-9(2)10-3-4-12(17)13(18)6-10/h3-7,9,20H,1-2H3
InChIKeyIEUCCGHYQOOWTC-UHFFFAOYSA-N
XLogP6.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.08
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-2-methylaniline
CID 43729562
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
4-[1-(5-bromo-4-fluoro-2-methylanilino)ethyl]-2-methoxyphenol
CID 107591502
2,4-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43683136
2,5-dibromo-N-[1-(3,4-dichlorophenyl)ethyl]aniline
CID 43736741
2-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-5-fluoroaniline
CID 107527068
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591358
N-[1-(3,4-dichlorophenyl)ethyl]-3-fluoro-4-methylaniline
CID 43110873
5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 83069686

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline?
The IUPAC name of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline (CID 107591194) is 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline?
The canonical SMILES for 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline is Cc1cc(F)c(Br)cc1NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline?
The InChIKey is IEUCCGHYQOOWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FN/c1-8-5-14(19)11(16)7-15(8)20-9(2)10-3-4-12(17)13(18)6-10/h3-7,9,20H,1-2H3.
What are the key properties of 5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline?
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline has a molecular weight of 377.08 g/mol, XLogP of 6.38, 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]-4-fluoro-2-methylaniline is sourced from PubChem (CID 107591194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).