1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine

C15H13BrF3N — CID 107513771

IUPAC1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Br)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-3-5-10(14(19)13(8)18)15(20-2)9-4-6-12(17)11(16)7-9/h3-7,15,20H,1-2H3
InChIKeyBFXOGXIEOJWRCH-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.48
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine

1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine (PubChem CID 107513771) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
PubChem CID107513771
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Br)c1)c1ccc(C)c(F)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-3-5-10(14(19)13(8)18)15(20-2)9-4-6-12(17)11(16)7-9/h3-7,15,20H,1-2H3
InChIKeyBFXOGXIEOJWRCH-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

Analyze 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-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

1-(4-bromo-2,5-dimethylphenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 107950608
1-(3-bromo-4-fluorophenyl)-1-(2,5-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107950732
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(3-bromo-4-fluorophenyl)-1-(3,5-dibromophenyl)-N-methylmethanamine
CID 107979866
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
1-(4-bromo-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480168
1-(3-bromo-4-methylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 81472374
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855163
1-(2,3-difluoro-4-methylphenyl)-1-(3-iodophenyl)-N-methylmethanamine
CID 107515336

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine (CID 107513771) is 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine is CNC(c1ccc(F)c(Br)c1)c1ccc(C)c(F)c1F.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
The InChIKey is BFXOGXIEOJWRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-8-3-5-10(14(19)13(8)18)15(20-2)9-4-6-12(17)11(16)7-9/h3-7,15,20H,1-2H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine?
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-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-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine is sourced from PubChem (CID 107513771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).