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

C15H14F3N — CID 62965810

IUPACN-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3N/c1-9-4-3-5-10(8-9)15(19-2)11-6-7-12(16)14(18)13(11)17/h3-8,15,19H,1-2H3
InChIKeyHGSBKLQFGMEFQD-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.72
Rot. Bonds3

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

N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine (PubChem CID 62965810) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
PubChem CID62965810
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine
SMILESCNC(c1cccc(C)c1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H14F3N/c1-9-4-3-5-10(8-9)15(19-2)11-6-7-12(16)14(18)13(11)17/h3-8,15,19H,1-2H3
InChIKeyHGSBKLQFGMEFQD-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.72
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-(4-fluoro-3-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62965139
1-(3-fluoro-4-methylphenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 62963780
1-(4-fluoro-3-methylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 60930098
1-(2-fluoro-4-methylphenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 115791781
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(2,3,4-trifluorophenyl)methanamine
CID 107993161
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 79747347
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
1-(2-fluoro-3-methylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477481
1-(2-chloro-4-methylphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 106857074
1-(3-bromo-4-fluorophenyl)-1-(2,3-difluoro-4-methylphenyl)-N-methylmethanamine
CID 107513771
1-(2-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 62792020

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine (CID 62965810) is N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine is CNC(c1cccc(C)c1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is HGSBKLQFGMEFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-4-3-5-10(8-9)15(19-2)11-6-7-12(16)14(18)13(11)17/h3-8,15,19H,1-2H3.
What are the key properties of N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine?
N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 265.28 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylphenyl)-1-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 62965810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).