1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

C14H10BrF4N — CID 115855144

IUPAC1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)ccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10BrF4N/c1-20-14(9-6-7(16)2-4-10(9)15)8-3-5-11(17)13(19)12(8)18/h2-6,14,20H,1H3
InChIKeySWDQXHFKXLNUTK-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.31
Rot. Bonds3

About 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine

1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 115855144) has the molecular formula C14H10BrF4N and a molecular weight of 348.14 g/mol. Its IUPAC name is 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID115855144
Molecular FormulaC14H10BrF4N
Molecular Weight348.14 g/mol
Exact Mass346.99
IUPAC Name1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1cc(F)ccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H10BrF4N/c1-20-14(9-6-7(16)2-4-10(9)15)8-3-5-11(17)13(19)12(8)18/h2-6,14,20H,1H3
InChIKeySWDQXHFKXLNUTK-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855163
N-[(2-bromo-5-fluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115855214
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(2-bromo-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 115861862
1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749290
1-(2-bromo-5-fluorophenyl)-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 43482821
1-(2-bromo-3,4-difluorophenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylmethanamine
CID 107539013
1-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(2-bromo-4-chlorophenyl)-1-(2,4-difluorophenyl)-N-methylmethanamine
CID 107987368
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,5,6-tetramethylphenyl)methanamine
CID 43484043

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (CID 115855144) is 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1cc(F)ccc1Br)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is SWDQXHFKXLNUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF4N/c1-20-14(9-6-7(16)2-4-10(9)15)8-3-5-11(17)13(19)12(8)18/h2-6,14,20H,1H3.
What are the key properties of 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 348.14 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 115855144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).