2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline

C15H14Br2FN — CID 43757717

IUPAC2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(F)c(Br)c2)c(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-9-3-6-15(13(17)7-9)19-10(2)11-4-5-14(18)12(16)8-11/h3-8,10,19H,1-2H3
InChIKeySMDOSLXAOWYGFN-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.83
Rot. Bonds3

About 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline

2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline (PubChem CID 43757717) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
PubChem CID43757717
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1ccc(NC(C)c2ccc(F)c(Br)c2)c(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-9-3-6-15(13(17)7-9)19-10(2)11-4-5-14(18)12(16)8-11/h3-8,10,19H,1-2H3
InChIKeySMDOSLXAOWYGFN-UHFFFAOYSA-N
XLogP5.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.09
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-chloro-2-fluoroaniline
CID 43785117
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,4-dichloroaniline
CID 43758735
4-[1-(2-bromo-4-methylanilino)ethyl]phenol
CID 43191244
5-[1-(2-bromo-4-methylanilino)ethyl]benzene-1,3-diol
CID 107704870
3-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylaniline
CID 107630093
N-[1-(3-bromo-4-fluorophenyl)ethyl]-5-chloro-2-methylaniline
CID 43755252
4-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-chloroaniline
CID 43774962
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2,3,5-trifluoroaniline
CID 63477170
2-bromo-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methylaniline
CID 43100834
2-bromo-4-chloro-N-[1-(3-methylphenyl)ethyl]aniline
CID 81264080
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline?
The IUPAC name of 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline (CID 43757717) is 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline is Cc1ccc(NC(C)c2ccc(F)c(Br)c2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline?
The InChIKey is SMDOSLXAOWYGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-9-3-6-15(13(17)7-9)19-10(2)11-4-5-14(18)12(16)8-11/h3-8,10,19H,1-2H3.
What are the key properties of 2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline?
2-bromo-N-[1-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline has a molecular weight of 387.09 g/mol, XLogP of 5.83, 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-(3-bromo-4-fluorophenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 43757717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).