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

C15H13BrF3N — CID 115855163

IUPAC1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1cc(C)ccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-3-5-11(16)10(7-8)15(20-2)9-4-6-12(17)14(19)13(9)18/h3-7,15,20H,1-2H3
InChIKeyXRHAIZPVDLWNAX-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.48
Rot. Bonds3

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

1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 115855163) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID115855163
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1cc(C)ccc1Br)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13BrF3N/c1-8-3-5-11(16)10(7-8)15(20-2)9-4-6-12(17)14(19)13(9)18/h3-7,15,20H,1-2H3
InChIKeyXRHAIZPVDLWNAX-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_2', 'substructure': 'N/A'}

Analyze 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine 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-(2-bromo-5-methylphenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852683
1-(2-bromo-5-methylphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 115861862
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 115855144
1-(2,5-dibromophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107515900
1-(2-bromo-5-methylphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 81109537
1-(5-bromo-2-methylthiophen-3-yl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 79749290
1-(4-bromo-2-fluorophenyl)-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 114906492
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
CID 62965810
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 106764769
1-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)-N-methylmethanamine
CID 43482234
1-(2-fluoro-5-methylphenyl)-1-(2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 106792082

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (CID 115855163) is 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1cc(C)ccc1Br)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is XRHAIZPVDLWNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-8-3-5-11(16)10(7-8)15(20-2)9-4-6-12(17)14(19)13(9)18/h3-7,15,20H,1-2H3.
What are the key properties of 1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
1-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine 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-(2-bromo-5-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 115855163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).