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

C15H14Br2FN — CID 82962050

IUPAC4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
SMILESCc1cc(Br)ccc1NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C15H14Br2FN/c1-9-7-11(16)4-6-15(9)19-10(2)13-5-3-12(17)8-14(13)18/h3-8,10,19H,1-2H3
InChIKeyCQSMUXULQAEHPR-UHFFFAOYSA-N
MW387.09 g/mol
LogP5.83
Rot. Bonds3

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

4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline (PubChem CID 82962050) has the molecular formula C15H14Br2FN and a molecular weight of 387.09 g/mol. Its IUPAC name is 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline.

Molecular Properties

Compound Name4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
PubChem CID82962050
Molecular FormulaC15H14Br2FN
Molecular Weight387.09 g/mol
Exact Mass384.95
IUPAC Name4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline
SMILESCc1cc(Br)ccc1NC(C)c1ccc(Br)cc1F
InChIInChI=1S/C15H14Br2FN/c1-9-7-11(16)4-6-15(9)19-10(2)13-5-3-12(17)8-14(13)18/h3-8,10,19H,1-2H3
InChIKeyCQSMUXULQAEHPR-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

4-[1-(4-bromo-2-fluorophenyl)ethylamino]-3-methylbenzoic acid
CID 82963526
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-4-methylaniline
CID 82963042
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-methylaniline
CID 82774797
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 82963536
4-bromo-N-[1-(2,4-dibromophenyl)ethyl]-2-fluoroaniline
CID 60781277
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349
4-bromo-2-[1-(4-bromo-2-fluorophenyl)ethylamino]benzonitrile
CID 107797536
4-bromo-N-[1-(2-chlorophenyl)ethyl]-2-methylaniline
CID 43082336
4-bromo-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-fluoroaniline
CID 43111824
2,4-dibromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-5-methoxyaniline
CID 103411845
5-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-fluoro-2-methylaniline
CID 107591478
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-chloro-6-methylaniline
CID 82963733

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline?
The IUPAC name of 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline (CID 82962050) is 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline.
What is the SMILES notation for 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline?
The canonical SMILES for 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline is Cc1cc(Br)ccc1NC(C)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline?
The InChIKey is CQSMUXULQAEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2FN/c1-9-7-11(16)4-6-15(9)19-10(2)13-5-3-12(17)8-14(13)18/h3-8,10,19H,1-2H3.
What are the key properties of 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline?
4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-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 4-bromo-N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-methylaniline is sourced from PubChem (CID 82962050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).