1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

C16H15BrF3N — CID 65099063

IUPAC1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1cc(C)c(Br)cc1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H15BrF3N/c1-8-5-12(17)9(2)4-11(8)16(21-3)15-13(19)6-10(18)7-14(15)20/h4-7,16,21H,1-3H3
InChIKeyIUXGBTQGLGPLMR-UHFFFAOYSA-N
MW358.20 g/mol
LogP4.79
Rot. Bonds3

About 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine

1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (PubChem CID 65099063) has the molecular formula C16H15BrF3N and a molecular weight of 358.20 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
PubChem CID65099063
Molecular FormulaC16H15BrF3N
Molecular Weight358.20 g/mol
Exact Mass357.03
IUPAC Name1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
SMILESCNC(c1cc(C)c(Br)cc1C)c1c(F)cc(F)cc1F
InChIInChI=1S/C16H15BrF3N/c1-8-5-12(17)9(2)4-11(8)16(21-3)15-13(19)6-10(18)7-14(15)20/h4-7,16,21H,1-3H3
InChIKeyIUXGBTQGLGPLMR-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The IUPAC name of 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine (CID 65099063) is 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The canonical SMILES for 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is CNC(c1cc(C)c(Br)cc1C)c1c(F)cc(F)cc1F.
What is the InChIKey of 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
The InChIKey is IUXGBTQGLGPLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrF3N/c1-8-5-12(17)9(2)4-11(8)16(21-3)15-13(19)6-10(18)7-14(15)20/h4-7,16,21H,1-3H3.
What are the key properties of 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine?
1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine has a molecular weight of 358.20 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethylphenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine is sourced from PubChem (CID 65099063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).