2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline

C15H14Br2FN — CID 43126197

IUPAC2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1cc(Br)c(NC(C)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-9-7-13(16)15(14(17)8-9)19-10(2)11-3-5-12(18)6-4-11/h3-8,10,19H,1-2H3
InChIKeyITMNPEYDGPKANU-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.83
Rot. Bonds3

About 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline

2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline (PubChem CID 43126197) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline.

Molecular Properties

Compound Name2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
PubChem CID43126197
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
SMILESCc1cc(Br)c(NC(C)c2ccc(F)cc2)c(Br)c1
InChIInChI=1S/C15H14Br2FN/c1-9-7-13(16)15(14(17)8-9)19-10(2)11-3-5-12(18)6-4-11/h3-8,10,19H,1-2H3
InChIKeyITMNPEYDGPKANU-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-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
2,6-dibromo-N-[1-(3-fluorophenyl)ethyl]-4-methylaniline
CID 43126159
4-[1-(2,6-dibromo-4-methylanilino)ethyl]benzonitrile
CID 43126206
3-bromo-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 107582345
4-bromo-N-[1-(4-fluorophenyl)ethyl]-3-methylaniline
CID 43080628
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245
2-bromo-5-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 104722878
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 81354443
N-[1-(4-fluorophenyl)ethyl]-2,4-dimethylaniline
CID 43078754
2-fluoro-N-[1-(4-fluorophenyl)ethyl]-5-methylaniline
CID 43088434
2-bromo-N-[1-(4-fluorophenyl)propan-2-yl]-4,6-dimethylaniline
CID 114830408
2-bromo-N-[1-(4-fluorophenyl)ethyl]-5-iodoaniline
CID 114258705

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The IUPAC name of 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline (CID 43126197) is 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline.
What is the SMILES notation for 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The canonical SMILES for 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline is Cc1cc(Br)c(NC(C)c2ccc(F)cc2)c(Br)c1.
What is the InChIKey of 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
The InChIKey is ITMNPEYDGPKANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-9-7-13(16)15(14(17)8-9)19-10(2)11-3-5-12(18)6-4-11/h3-8,10,19H,1-2H3.
What are the key properties of 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline?
2,6-dibromo-N-[1-(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 2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline is sourced from PubChem (CID 43126197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).