2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine

C16H16Br2FN — CID 115843072

IUPAC2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1cc(C)ccc1Br
InChIInChI=1S/C16H16Br2FN/c1-10-3-6-14(17)13(7-10)16(20-2)8-11-4-5-12(19)9-15(11)18/h3-7,9,16,20H,8H2,1-2H3
InChIKeyLGBVDOFYMVPEET-UHFFFAOYSA-N
MW401.12 g/mol
LogP5.16
Rot. Bonds4

About 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine

2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine (PubChem CID 115843072) has the molecular formula C16H16Br2FN and a molecular weight of 401.12 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
PubChem CID115843072
Molecular FormulaC16H16Br2FN
Molecular Weight401.12 g/mol
Exact Mass398.96
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1Br)c1cc(C)ccc1Br
InChIInChI=1S/C16H16Br2FN/c1-10-3-6-14(17)13(7-10)16(20-2)8-11-4-5-12(19)9-15(11)18/h3-7,9,16,20H,8H2,1-2H3
InChIKeyLGBVDOFYMVPEET-UHFFFAOYSA-N
XLogP5.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.12
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
2-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-fluorophenyl)-N-methylethanamine
CID 114894718
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-fluorophenyl)-N-ethylethanamine
CID 115843155
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 105136403
2-(2-bromo-4-fluorophenyl)-1-(2-chlorofuran-3-yl)-N-methylethanamine
CID 106691781
2-(2-bromo-4-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
CID 106691787
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115843279

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine (CID 115843072) is 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1Br)c1cc(C)ccc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine?
The InChIKey is LGBVDOFYMVPEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2FN/c1-10-3-6-14(17)13(7-10)16(20-2)8-11-4-5-12(19)9-15(11)18/h3-7,9,16,20H,8H2,1-2H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine?
2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine has a molecular weight of 401.12 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-(2-bromo-5-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115843072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).