1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine

C14H11Br3FN — CID 43482234

IUPAC1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H11Br3FN/c1-19-14(10-4-2-9(16)7-13(10)18)11-6-8(15)3-5-12(11)17/h2-7,14,19H,1H3
InChIKeyILQXPNCMALXSHH-UHFFFAOYSA-N
MW451.96 g/mol
LogP5.42
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine

1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine (PubChem CID 43482234) has the molecular formula C14H11Br3FN and a molecular weight of 451.96 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
PubChem CID43482234
Molecular FormulaC14H11Br3FN
Molecular Weight451.96 g/mol
Exact Mass448.84
IUPAC Name1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1F)c1cc(Br)ccc1Br
InChIInChI=1S/C14H11Br3FN/c1-19-14(10-4-2-9(16)7-13(10)18)11-6-8(15)3-5-12(11)17/h2-7,14,19H,1H3
InChIKeyILQXPNCMALXSHH-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.96
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
1-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-fluorophenyl)-N-methylmethanamine
CID 114906262
1-(4-bromo-2-fluorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 114906490
1-(2,4-dibromophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107945698
1-(2-chloro-3-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 81454247
1-(4-bromo-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906492
1-(4-bromo-2-fluorophenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 43481266
1-(4-bromo-2-fluorophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906456
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302180
1-(4-bromo-2-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80533162
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine (CID 43482234) is 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine is CNC(c1ccc(Br)cc1F)c1cc(Br)ccc1Br.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
The InChIKey is ILQXPNCMALXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3FN/c1-19-14(10-4-2-9(16)7-13(10)18)11-6-8(15)3-5-12(11)17/h2-7,14,19H,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine?
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine has a molecular weight of 451.96 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine is sourced from PubChem (CID 43482234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).