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

C15H13F4N — CID 62965139

IUPAC1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccc(F)c(C)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13F4N/c1-8-7-9(3-5-11(8)16)15(20-2)10-4-6-12(17)14(19)13(10)18/h3-7,15,20H,1-2H3
InChIKeyIZRNCKJGZCEHEK-UHFFFAOYSA-N
MW283.27 g/mol
LogP3.86
Rot. Bonds3

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

1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 62965139) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID62965139
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1ccc(F)c(C)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H13F4N/c1-8-7-9(3-5-11(8)16)15(20-2)10-4-6-12(17)14(19)13(10)18/h3-7,15,20H,1-2H3
InChIKeyIZRNCKJGZCEHEK-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 53.86
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-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
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-(2-fluoro-3-methoxyphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 82807916
1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62548369
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
1-(4-fluoro-3-methylphenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 79747300
N,N-dimethyl-4-[methylamino-(2,3,4-trifluorophenyl)methyl]aniline
CID 105146542
1-(4-fluoro-3-methylphenyl)-1-(furan-3-yl)-N-methylmethanamine
CID 63949186
[(3-fluoro-4-methylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105201418

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine (CID 62965139) is 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1ccc(F)c(C)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is IZRNCKJGZCEHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-8-7-9(3-5-11(8)16)15(20-2)10-4-6-12(17)14(19)13(10)18/h3-7,15,20H,1-2H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine?
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 283.27 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 62965139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).