1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine

C15H14F3N — CID 107514112

IUPAC1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(C)c(F)c2F)ccc1F
InChIInChI=1S/C15H14F3N/c1-9-3-5-12(15(18)14(9)17)10-4-6-13(16)11(7-10)8-19-2/h3-7,19H,8H2,1-2H3
InChIKeyOGGDCCNMXHQBKZ-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.80
Rot. Bonds3

About 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine

1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine (PubChem CID 107514112) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
PubChem CID107514112
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(C)c(F)c2F)ccc1F
InChIInChI=1S/C15H14F3N/c1-9-3-5-12(15(18)14(9)17)10-4-6-13(16)11(7-10)8-19-2/h3-7,19H,8H2,1-2H3
InChIKeyOGGDCCNMXHQBKZ-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine (CID 107514112) is 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine is CNCc1cc(-c2ccc(C)c(F)c2F)ccc1F.
What is the InChIKey of 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine?
The InChIKey is OGGDCCNMXHQBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-3-5-12(15(18)14(9)17)10-4-6-13(16)11(7-10)8-19-2/h3-7,19H,8H2,1-2H3.
What are the key properties of 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine?
1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-difluoro-4-methylphenyl)-2-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107514112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).