1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine

C16H15F4N — CID 82798424

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15F4N/c1-9-3-6-12(18)15(16(9)20)14(21-2)7-10-4-5-11(17)8-13(10)19/h3-6,8,14,21H,7H2,1-2H3
InChIKeyWMUGNTJIUZVFJL-UHFFFAOYSA-N
MW297.30 g/mol
LogP4.05
Rot. Bonds4

About 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine

1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine (PubChem CID 82798424) has the molecular formula C16H15F4N and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
PubChem CID82798424
Molecular FormulaC16H15F4N
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(F)cc1F)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H15F4N/c1-9-3-6-12(18)15(16(9)20)14(21-2)7-10-4-5-11(17)8-13(10)19/h3-6,8,14,21H,7H2,1-2H3
InChIKeyWMUGNTJIUZVFJL-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)ethyl]hydrazine
CID 105223092
2-(2,4-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylethanamine
CID 64561397
1-(2,6-difluoro-3-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 82814752
1-(2,6-difluoro-3-methylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 82797310
2-(2,4-difluorophenyl)-1-(3,5-dimethylthiophen-2-yl)-N-methylethanamine
CID 81157269
1-(2,6-difluoro-3-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 105051267
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(5-fluoro-2-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 105377134
2-(4-bromo-2-fluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)ethanamine
CID 115844618
1-(2,6-difluoro-3-methylphenyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 115842714
1-(2-fluoro-6-methoxyphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348185
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine (CID 82798424) is 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine is CNC(Cc1ccc(F)cc1F)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine?
The InChIKey is WMUGNTJIUZVFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N/c1-9-3-6-12(18)15(16(9)20)14(21-2)7-10-4-5-11(17)8-13(10)19/h3-6,8,14,21H,7H2,1-2H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine?
1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine has a molecular weight of 297.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(2,4-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 82798424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).