1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

C15H13BrF3N — CID 106944665

IUPAC1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1F)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-4-3-5-9(13(8)18)15(20-2)12-11(17)7-6-10(16)14(12)19/h3-7,15,20H,1-2H3
InChIKeyNHASXULEGGPUGG-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.48
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine

1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (PubChem CID 106944665) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
PubChem CID106944665
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
SMILESCNC(c1cccc(C)c1F)c1c(F)ccc(Br)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-4-3-5-9(13(8)18)15(20-2)12-11(17)7-6-10(16)14(12)19/h3-7,15,20H,1-2H3
InChIKeyNHASXULEGGPUGG-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3-bromo-2,6-difluorophenyl)-(2-chloro-3-methylphenyl)methyl]hydrazine
CID 106945494
1-(3-bromo-2,6-difluorophenyl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 106942954
[(3-bromo-2,6-difluorophenyl)-(2-methylphenyl)methyl]hydrazine
CID 106945251
1-(3-chloro-2-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82822300
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
[(3-bromo-2-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 106649829
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81477388
1-(2,5-dibromo-4-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477562
1-(1-benzofuran-3-yl)-1-(3-bromo-2,6-difluorophenyl)-N-methylmethanamine
CID 106942961
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
1-(2,5-dibromo-4-methylphenyl)-1-(2,6-difluoro-3-methylphenyl)-N-methylmethanamine
CID 82797769
(3-bromo-2,6-difluorophenyl)-(2-bromo-3-methylphenyl)methanol
CID 107985905

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine (CID 106944665) is 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is CNC(c1cccc(C)c1F)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
The InChIKey is NHASXULEGGPUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-8-4-3-5-9(13(8)18)15(20-2)12-11(17)7-6-10(16)14(12)19/h3-7,15,20H,1-2H3.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine?
1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 106944665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).