5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline

C15H14Br2FN — CID 107591358

IUPAC5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NC(C)c1ccccc1Br
InChIInChI=1S/C15H14Br2FN/c1-9-7-14(18)13(17)8-15(9)19-10(2)11-5-3-4-6-12(11)16/h3-8,10,19H,1-2H3
InChIKeySHFNOMYRANHDLQ-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.83
Rot. Bonds3

About 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline

5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline (PubChem CID 107591358) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
PubChem CID107591358
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline
SMILESCc1cc(F)c(Br)cc1NC(C)c1ccccc1Br
InChIInChI=1S/C15H14Br2FN/c1-9-7-14(18)13(17)8-15(9)19-10(2)11-5-3-4-6-12(11)16/h3-8,10,19H,1-2H3
InChIKeySHFNOMYRANHDLQ-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

Analyze 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-fluoro-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 107591660
N-[1-(2-bromophenyl)ethyl]-2,4-difluoroaniline
CID 43195353
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
2-bromo-N-[1-(2-bromophenyl)ethyl]aniline
CID 43103209
3-[1-(2-bromophenyl)ethylamino]-4-methylbenzenesulfonamide
CID 43744252
5-bromo-N-[1-(2,5-difluoro-4-methylphenyl)ethyl]-2,4-difluoroaniline
CID 102852987
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591194
5-bromo-N-(1,1-difluoropropan-2-yl)-4-fluoro-2-methylaniline
CID 107591486
5-bromo-4-fluoro-2-methyl-N-(4-phenylbutan-2-yl)aniline
CID 107591356
2-bromo-N-[1-(2,4-difluorophenyl)ethyl]aniline
CID 43194501
2-N-(5-bromo-4-fluoro-2-methylphenyl)propane-1,2-diamine
CID 107591558

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline?
The IUPAC name of 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline (CID 107591358) is 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline.
What is the SMILES notation for 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline?
The canonical SMILES for 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline is Cc1cc(F)c(Br)cc1NC(C)c1ccccc1Br.
What is the InChIKey of 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline?
The InChIKey is SHFNOMYRANHDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-9-7-14(18)13(17)8-15(9)19-10(2)11-5-3-4-6-12(11)16/h3-8,10,19H,1-2H3.
What are the key properties of 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline?
5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-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 5-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoro-2-methylaniline is sourced from PubChem (CID 107591358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).